5-(cyclohexen-1-yl)oxolan-3-one

C10H14O2 — CID 10773376

IUPAC5-(cyclohexen-1-yl)oxolan-3-one
SMILESO=C1COC(C2=CCCCC2)C1
InChIInChI=1S/C10H14O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h4,10H,1-3,5-7H2
InChIKeyHDULYZPBYSAKAF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.84
Rot. Bonds1

About 5-(cyclohexen-1-yl)oxolan-3-one

5-(cyclohexen-1-yl)oxolan-3-one (PubChem CID 10773376) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)oxolan-3-one.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)oxolan-3-one
PubChem CID10773376
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-(cyclohexen-1-yl)oxolan-3-one
SMILESO=C1COC(C2=CCCCC2)C1
InChIInChI=1S/C10H14O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h4,10H,1-3,5-7H2
InChIKeyHDULYZPBYSAKAF-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.84
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

(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 130898826
7-Pent-4-enyl-2,3,4a,7a-tetrahydrocyclopenta[b][1,4]dioxin-5-one
CID 10512551
7-Butyl-2,3,4a,7a-tetrahydrocyclopenta[b][1,4]dioxin-5-one
CID 10535881
InChI=1/C8H10O2/c9-7-5-10-8-4-2-1-3-6(7)8/h3,8H,1-2,4-5H
CID 10964582
5-Ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 14924718
ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
CID 142270233
(4E)-5-propyl-4-propylideneoxolan-3-one
CID 164054997
4-(Oxolan-2-yl)cyclododec-3-en-1-one
CID 173571121
2-(1,3,5,6,7,7a-Hexahydro-2-benzofuran-1-yl)-2-oxoacetaldehyde
CID 174782535
2-(Cyclohexen-1-yl)-2-methoxyacetaldehyde
CID 174986012
2-(Oxan-2-yl)cyclopent-2-en-1-one
CID 175854206
5-(Cyclohexylidenemethyl)oxolan-3-one
CID 10773720

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)oxolan-3-one?
The IUPAC name of 5-(cyclohexen-1-yl)oxolan-3-one (CID 10773376) is 5-(cyclohexen-1-yl)oxolan-3-one.
What is the SMILES notation for 5-(cyclohexen-1-yl)oxolan-3-one?
The canonical SMILES for 5-(cyclohexen-1-yl)oxolan-3-one is O=C1COC(C2=CCCCC2)C1.
What is the InChIKey of 5-(cyclohexen-1-yl)oxolan-3-one?
The InChIKey is HDULYZPBYSAKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h4,10H,1-3,5-7H2.
What are the key properties of 5-(cyclohexen-1-yl)oxolan-3-one?
5-(cyclohexen-1-yl)oxolan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)oxolan-3-one is sourced from PubChem (CID 10773376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).