[email protected]
CAS 109-20-6 GERANYL ISOVALERATE molecular structure lightbox
CAS RN: 109-20-6

GERANYL ISOVALERATE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251210 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS109-20-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

109-20-6 / [(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate

3,7-dimethylocta-2,6-dienyl 3-methylbutanoate | RefChem:571420 | Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester

Standard CAS: 109-20-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
109-20-6
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
SMILES
CC(C)CC(=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChIKey
SOUKTGNMIRUIQN-NTEUORMPSA-N
Synonyms
3,7-dimethylocta-2,6-dienyl 3-methylbutanoate RefChem:571420 Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester SCHEMBL309495 DTXSID50861729

Physical Properties

Density
0.878-0.899
Physical Description
colourless to pale yellow liquid/rose odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
72.84
TPSA
26.3

LogP / Solubility

WLOGP
4.27
MLOGP
3.76
XLogP3
4.7
Consensus LogP
4.24
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

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)
-1.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 308 of 308 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us