5-(cyclohexylidenemethyl)oxolan-3-one

C11H16O2 — CID 10773720

IUPAC5-(cyclohexylidenemethyl)oxolan-3-one
SMILESO=C1COC(C=C2CCCCC2)C1
InChIInChI=1S/C11H16O2/c12-10-7-11(13-8-10)6-9-4-2-1-3-5-9/h6,11H,1-5,7-8H2
InChIKeyKUNKDQZOPCMAAE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds1

About 5-(cyclohexylidenemethyl)oxolan-3-one

5-(cyclohexylidenemethyl)oxolan-3-one (PubChem CID 10773720) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(cyclohexylidenemethyl)oxolan-3-one.

Molecular Properties

Compound Name5-(cyclohexylidenemethyl)oxolan-3-one
PubChem CID10773720
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-(cyclohexylidenemethyl)oxolan-3-one
SMILESO=C1COC(C=C2CCCCC2)C1
InChIInChI=1S/C11H16O2/c12-10-7-11(13-8-10)6-9-4-2-1-3-5-9/h6,11H,1-5,7-8H2
InChIKeyKUNKDQZOPCMAAE-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Oxabicyclo(2.2.1)hept-5-en-2-one
CID 549244
(1S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 10953449
(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 11083853
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dione
CID 143246
(4S)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 166449212
(1R,4R)-6-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 11126312
6-Ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 14924714
(4E)-4-ethylidene-2,5-dimethyloxolan-3-one
CID 20566149
4-Ethylidene-2,5-dimethyloxolan-3-one
CID 53672337
2,5-Dimethyl-4-(2-methylpropylidene)oxolan-3-one
CID 53979158
(1R)-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 71408260
5-(2,3-Dimethylbut-1-enyl)oxolan-3-one
CID 140006383

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylidenemethyl)oxolan-3-one?
The IUPAC name of 5-(cyclohexylidenemethyl)oxolan-3-one (CID 10773720) is 5-(cyclohexylidenemethyl)oxolan-3-one.
What is the SMILES notation for 5-(cyclohexylidenemethyl)oxolan-3-one?
The canonical SMILES for 5-(cyclohexylidenemethyl)oxolan-3-one is O=C1COC(C=C2CCCCC2)C1.
What is the InChIKey of 5-(cyclohexylidenemethyl)oxolan-3-one?
The InChIKey is KUNKDQZOPCMAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-7-11(13-8-10)6-9-4-2-1-3-5-9/h6,11H,1-5,7-8H2.
What are the key properties of 5-(cyclohexylidenemethyl)oxolan-3-one?
5-(cyclohexylidenemethyl)oxolan-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylidenemethyl)oxolan-3-one is sourced from PubChem (CID 10773720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).