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CAS 1073-11-6 dihydro-5-methyl-5-vinylfuran-2(3H)-one molecular structure lightbox
CAS RN: 1073-11-6

dihydro-5-methyl-5-vinylfuran-2(3H)-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1073-11-6
  • Purity/Analytical Methods: >99.0%
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1073-11-6 / 5-ethenyl-5-methyloxolan-2-one

5-ethenyl-5-methyloxolan-2-one | 2(3H)-Furanone, 5-ethenyldihydro-5-methyl- | 5-Ethenyldihydro-5-methyl-2(3H)-furanone

Standard CAS: 1073-11-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1073-11-6
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
CC1(CCC(=O)O1)C=C
InChI
InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
InChIKey
QESPSAHXYXIGBG-UHFFFAOYSA-N
Synonyms
5-ethenyl-5-methyloxolan-2-one 2(3H)-Furanone, 5-ethenyldihydro-5-methyl- 5-Ethenyldihydro-5-methyl-2(3H)-furanone Lavender lactone 4-Methyl-5-hexen-4-olide

Physical Properties

Density
1.015-1.025 (20°)
Physical Description
Clear, colourless liquid; floral aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.93
TPSA
26.3

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.59

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

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