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CAS 33933-78-7 5-METHYL-5-NONANOL molecular structure lightbox
CAS RN: 33933-78-7

5-METHYL-5-NONANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS33933-78-7
  • Purity/Analytical Methods: >99.0%
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33933-78-7 / 5-methylnonan-5-ol

Standard CAS: 33933-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33933-78-7
Multi CAS
No
Molecular Formula
C10H22O
Molecular Weight
158.280000
Exact Mass
158.167065
InChI
InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3
InChIKey
AGSIGVZAVLOKLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.67
TPSA
20.23

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.47

Drug-likeness / Medicinal Chemistry

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

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