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CAS 20056-92-2 CIS-7-DODECEN-1-OL molecular structure lightbox
CAS RN: 20056-92-2

CIS-7-DODECEN-1-OL

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS20056-92-2
  • Purity/Analytical Methods: >99.0%
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20056-92-2 / dodec-7-en-1-ol

Standard CAS: 20056-92-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20056-92-2
Multi CAS
No
Molecular Formula
C12H24O
Molecular Weight
184.320000
Exact Mass
184.182715
SMILES
CCCCC=CCCCCCCO
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3/b6-5-
InChIKey
WWDOVTHLTQFGOZ-WAYWQWQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.84
TPSA
20.23

LogP / Solubility

WLOGP
3.68
MLOGP
3.23
XLogP3
4.2
Consensus LogP
3.7
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly 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)
-1.23

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
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
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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