3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one

C10H16O2 — CID 143066906

IUPAC3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one
SMILESC/C=C(/CC)C1COC(=O)C1C
InChIInChI=1S/C10H16O2/c1-4-8(5-2)9-6-12-10(11)7(9)3/h4,7,9H,5-6H2,1-3H3/b8-4-
InChIKeyPKTYUQHJHPPRKW-YWEYNIOJSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one

3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one (PubChem CID 143066906) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one.

Molecular Properties

Compound Name3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one
PubChem CID143066906
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one
SMILESC/C=C(/CC)C1COC(=O)C1C
InChIInChI=1S/C10H16O2/c1-4-8(5-2)9-6-12-10(11)7(9)3/h4,7,9H,5-6H2,1-3H3/b8-4-
InChIKeyPKTYUQHJHPPRKW-YWEYNIOJSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-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

Citronellyl propionate
CID 8834
Citronellyl butyrate
CID 8835
Methyl rhodinolate
CID 61290
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Citronellyl isobutyrate
CID 60985
Citronellyl valerate
CID 61416
Citronellyl isovalerate
CID 111440
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-
CID 98496
2-Cyclopentene-1-acetic acid, ethyl ester
CID 10877336
Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 93847
2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 21149847
3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
CID 3086155

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one?
The IUPAC name of 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one (CID 143066906) is 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one.
What is the SMILES notation for 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one?
The canonical SMILES for 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one is C/C=C(/CC)C1COC(=O)C1C.
What is the InChIKey of 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one?
The InChIKey is PKTYUQHJHPPRKW-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8(5-2)9-6-12-10(11)7(9)3/h4,7,9H,5-6H2,1-3H3/b8-4-.
What are the key properties of 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one?
3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(Z)-pent-2-en-3-yl]oxolan-2-one is sourced from PubChem (CID 143066906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).