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CAS 18479-49-7 3,7-DIMETHYL-1-OCTEN-3-OL molecular structure lightbox
CAS RN: 18479-49-7

3,7-DIMETHYL-1-OCTEN-3-OL

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS18479-49-7
  • Purity/Analytical Methods: >99.0%
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18479-49-7 / 3,7-dimethyloct-1-en-3-ol

Standard CAS: 18479-49-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18479-49-7
Multi CAS
No
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
SMILES
CC(C)CCCC(C)(C=C)O
InChI
InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3
InChIKey
IUDWWFNDSJRYRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.51
TPSA
20.23

LogP / Solubility

WLOGP
2.75
MLOGP
2.41
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-1.72

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H318 (56%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (43.2%): Harmful if inhaled [Warning Acute toxicity, inhalation] H412 (55.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501

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