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CAS 106593-58-2 8-METHYL-1-DECANOL molecular structure lightbox
CAS RN: 106593-58-2

8-METHYL-1-DECANOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS106593-58-2
  • Purity/Analytical Methods: >99.0%
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106593-58-2 / 8-methyldecan-1-ol

8-METHYLDECAN-1-OL | 8-METHYL-1-DECANOL | SCHEMBL1658809

Standard CAS: 106593-58-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106593-58-2
Multi CAS
No
Molecular Formula
C11H24O
Molecular Weight
172.310000
Exact Mass
172.182715
SMILES
CCC(C)CCCCCCCO
InChI
InChI=1S/C11H24O/c1-3-11(2)9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3
InChIKey
SEBPZDSJYVVIEX-UHFFFAOYSA-N
Synonyms
8-METHYLDECAN-1-OL 8-METHYL-1-DECANOL SCHEMBL1658809 SCHEMBL9120914 DTXSID70626150

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.24
TPSA
20.23

LogP / Solubility

WLOGP
3.37
MLOGP
2.96
XLogP3
4.3
Consensus LogP
3.54
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
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)
-1.38

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

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