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CAS 19600-63-6 1,2-EPOXY-7-OCTENE molecular structure lightbox
CAS RN: 19600-63-6

1,2-EPOXY-7-OCTENE

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 1g In stock Shanghai, Guangdong Inquiry
Batchno.20251109 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS19600-63-6
  • Purity/Analytical Methods: >99.0%
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19600-63-6 / 2-hex-5-enyloxirane

Standard CAS: 19600-63-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19600-63-6
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
C=CCCCCC1CO1
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2,8H,1,3-7H2
InChIKey
UKTHULMXFLCNAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
38.41
TPSA
12.53

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2.5
Consensus LogP
2.17
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-1.98

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
2

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [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, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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