[email protected]
CAS 1120-80-5 Cyclopentene-1-methanol molecular structure lightbox
CAS RN: 1120-80-5

Cyclopentene-1-methanol

  • Product code: SSC-012539
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1120-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1120-80-5 / cyclopenten-1-ylmethanol

1-Cyclopentene-1-methanol | cyclopent-1-en-1-ylmethanol | DTXSID50453289

Standard CAS: 1120-80-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1120-80-5
Multi CAS
No
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
SMILES
C1CC=C(C1)CO
InChI
InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h3,7H,1-2,4-5H2
InChIKey
WJDFLCXFDSYKID-UHFFFAOYSA-N
Synonyms
1-Cyclopentene-1-methanol cyclopent-1-en-1-ylmethanol DTXSID50453289 RefChem:431760 DTXCID80404108

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.02
TPSA
20.23

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.6
Consensus LogP
0.88
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us