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CAS 68937-66-6 Alcohols, C6-12, ethoxylated propoxylated molecular structure lightbox
CAS RN: 68937-66-6

Alcohols, C6-12, ethoxylated propoxylated

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  • Product code: starshine_CAS68937-66-6
  • Purity/Analytical Methods: >99.0%
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68937-66-6 / 1-ethoxyhexane;1-propoxyhexane

Standard CAS: 68937-66-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68937-66-6
Multi CAS
Yes
Molecular Formula
C17H38O2
Molecular Weight
274.500000
Exact Mass
274.287180
InChI
InChI=1S/C9H20O.C8H18O/c1-3-5-6-7-9-10-8-4-2;1-3-5-6-7-8-9-4-2/h3-9H2,1-2H3;3-8H2,1-2H3
InChIKey
QTUGCFPIWBMXQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
85.89
TPSA
18.46

LogP / Solubility

WLOGP
5.6
MLOGP
4.93
XLogP3
5.6
Consensus LogP
5.38
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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