4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one

C11H16O2 — CID 66596132

IUPAC4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one
SMILESO=C1CC(CC2CC=CCC2)CO1
InChIInChI=1S/C11H16O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-2,9-10H,3-8H2
InChIKeyUCTVNTUMCNBULD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds2

About 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one

4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one (PubChem CID 66596132) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one
PubChem CID66596132
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one
SMILESO=C1CC(CC2CC=CCC2)CO1
InChIInChI=1S/C11H16O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-2,9-10H,3-8H2
InChIKeyUCTVNTUMCNBULD-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
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-(cyclohex-3-en-1-ylmethyl)oxolan-2-one?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one (CID 66596132) is 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one is O=C1CC(CC2CC=CCC2)CO1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one?
The InChIKey is UCTVNTUMCNBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-2,9-10H,3-8H2.
What are the key properties of 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one?
4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one is sourced from PubChem (CID 66596132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).