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CAS 55505-26-5 8-Methyl-1 -nonanol molecular structure lightbox
CAS RN: 55505-26-5

8-Methyl-1 -nonanol

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS55505-26-5
  • Purity/Analytical Methods: >99.0%
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55505-26-5 / 8-methylnonan-1-ol

Standard CAS: 55505-26-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55505-26-5
Multi CAS
No
Molecular Formula
C10H22O
Molecular Weight
158.280000
Exact Mass
158.167065
InChI
InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
InChIKey
PLLBRTOLHQQAQQ-UHFFFAOYSA-N

Physical Properties

Melting Point
less than 140 °F (USCG, 1999) FP: LESS THAN 140 °F= LESS THAN 60 °C= LESS THAN 333 DEG K 7 °C
Boiling Point
428 °F at 760 mmHg (USCG, 1999) 220 °C
Density
0.841 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8395 Relative density (water = 1): 0.84
Physical Description
Isodecyl alcohol is a colorless liquid with a mild alcohol odor. Floats on water. (USCG, 1999) Liquid Colorless liquid; [HSDB] SLIGHTLY VISCOUS LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.63
TPSA
20.23

LogP / Solubility

WLOGP
2.98
MLOGP
2.61
XLogP3
3.8
Consensus LogP
3.13
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
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)
-1.57

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

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