3-methyl-5-propan-2-ylideneoxolan-2-one

C8H12O2 — CID 166449941

IUPAC3-methyl-5-propan-2-ylideneoxolan-2-one
SMILESCC(C)=C1CC(C)C(=O)O1
InChIInChI=1S/C8H12O2/c1-5(2)7-4-6(3)8(9)10-7/h6H,4H2,1-3H3
InChIKeyXJSMQAYXDSPGQJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.86
Rot. Bonds

About 3-methyl-5-propan-2-ylideneoxolan-2-one

3-methyl-5-propan-2-ylideneoxolan-2-one (PubChem CID 166449941) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylideneoxolan-2-one.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylideneoxolan-2-one
PubChem CID166449941
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methyl-5-propan-2-ylideneoxolan-2-one
SMILESCC(C)=C1CC(C)C(=O)O1
InChIInChI=1S/C8H12O2/c1-5(2)7-4-6(3)8(9)10-7/h6H,4H2,1-3H3
InChIKeyXJSMQAYXDSPGQJ-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-propan-2-ylideneoxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3,4-dimethyl-5-pentylidene-oxolan-2-one
CID 9855656
5-Isopropylidene-3,3-dimethyl-dihydrofuran-2-one
CID 550739
(5E)-5-(3-methyl-3-butenylidene)dihydro-2(3H)-furanone
CID 13610467
(5E)-5-(2-methylbut-3-enylidene)oxolan-2-one
CID 13610468
3,4,5-Trimethyl-2(3h)-furanone
CID 14816435
5-Propan-2-ylideneoxolan-2-one
CID 20272219
4-Ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one
CID 12529940
(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one
CID 24864796
(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one
CID 134977768
5-Cyclopentylideneoxolan-2-one
CID 11804957
4-Methyl-5-propan-2-ylideneoxolan-2-one
CID 13412099
5-Ethylidene-3-methyloxolan-2-one
CID 54460905

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-ylideneoxolan-2-one?
The IUPAC name of 3-methyl-5-propan-2-ylideneoxolan-2-one (CID 166449941) is 3-methyl-5-propan-2-ylideneoxolan-2-one.
What is the SMILES notation for 3-methyl-5-propan-2-ylideneoxolan-2-one?
The canonical SMILES for 3-methyl-5-propan-2-ylideneoxolan-2-one is CC(C)=C1CC(C)C(=O)O1.
What is the InChIKey of 3-methyl-5-propan-2-ylideneoxolan-2-one?
The InChIKey is XJSMQAYXDSPGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)7-4-6(3)8(9)10-7/h6H,4H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-ylideneoxolan-2-one?
3-methyl-5-propan-2-ylideneoxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-ylideneoxolan-2-one is sourced from PubChem (CID 166449941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).