4-(2-Methylpent-4-en-2-yl)oxolan-2-one

C10H16O2 — CID 71366692

IUPAC4-(2-methylpent-4-en-2-yl)oxolan-2-one
SMILESCC(C)(CC=C)C1CC(=O)OC1
InChIInChI=1S/C10H16O2/c1-4-5-10(2,3)8-6-9(11)12-7-8/h4,8H,1,5-7H2,2-3H3
InChIKeyWFSUDHAWDLHBKJ-UHFFFAOYSA-N
MW168.23 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-Methylpent-4-en-2-yl)oxolan-2-one

4-(2-Methylpent-4-en-2-yl)oxolan-2-one (PubChem CID 71366692) has the molecular formula C10H16O2 and a molecular weight of 168.23 g/mol. Its IUPAC name is 4-(2-methylpent-4-en-2-yl)oxolan-2-one.

Molecular Properties

Compound Name4-(2-Methylpent-4-en-2-yl)oxolan-2-one
PubChem CID71366692
Molecular FormulaC10H16O2
Molecular Weight168.23 g/mol
Exact Mass168.12
IUPAC Name4-(2-methylpent-4-en-2-yl)oxolan-2-one
SMILESCC(C)(CC=C)C1CC(=O)OC1
InChIInChI=1S/C10H16O2/c1-4-5-10(2,3)8-6-9(11)12-7-8/h4,8H,1,5-7H2,2-3H3
InChIKeyWFSUDHAWDLHBKJ-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-Methylpent-4-en-2-yl)oxolan-2-one?
The IUPAC name of 4-(2-Methylpent-4-en-2-yl)oxolan-2-one (CID 71366692) is 4-(2-methylpent-4-en-2-yl)oxolan-2-one.
What is the SMILES notation for 4-(2-Methylpent-4-en-2-yl)oxolan-2-one?
The canonical SMILES for 4-(2-Methylpent-4-en-2-yl)oxolan-2-one is CC(C)(CC=C)C1CC(=O)OC1.
What is the InChIKey of 4-(2-Methylpent-4-en-2-yl)oxolan-2-one?
The InChIKey is WFSUDHAWDLHBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-10(2,3)8-6-9(11)12-7-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-(2-Methylpent-4-en-2-yl)oxolan-2-one?
4-(2-Methylpent-4-en-2-yl)oxolan-2-one has a molecular weight of 168.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-Methylpent-4-en-2-yl)oxolan-2-one is sourced from PubChem (CID 71366692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).