2-cyclohex-2-en-1-yloxycyclohexan-1-one

C12H18O2 — CID 54003482

IUPAC2-cyclohex-2-en-1-yloxycyclohexan-1-one
SMILESO=C1CCCCC1OC1C=CCCC1
InChIInChI=1S/C12H18O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,6,10,12H,1,3-5,7-9H2
InChIKeyPQBJAEQVUINBAQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds2

About 2-cyclohex-2-en-1-yloxycyclohexan-1-one

2-cyclohex-2-en-1-yloxycyclohexan-1-one (PubChem CID 54003482) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yloxycyclohexan-1-one.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yloxycyclohexan-1-one
PubChem CID54003482
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclohex-2-en-1-yloxycyclohexan-1-one
SMILESO=C1CCCCC1OC1C=CCCC1
InChIInChI=1S/C12H18O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,6,10,12H,1,3-5,7-9H2
InChIKeyPQBJAEQVUINBAQ-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
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

(7Z,10Z,12S)-12-[(Z)-hept-4-enoyl]-1-oxacyclododeca-7,10-dien-2-one
CID 162987579
2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 15535735
2-[(E)-hex-1-enyl]oxan-3-one
CID 10965158
(7Z,10Z)-12-[(Z)-hept-4-enoyl]-1-oxacyclododeca-7,10-dien-2-one
CID 11243249
2-But-3-en-2-yloxycyclohexan-1-one
CID 22572216
2-Ethoxycyclohex-3-en-1-one
CID 69082054
8-Cyclohexyloxyoct-6-en-2-one
CID 85965216
1-[(2S)-3,6-dihydro-2H-pyran-2-yl]pent-4-en-1-one
CID 10855853
12-Hept-4-enoyl-1-oxacyclododeca-7,10-dien-2-one
CID 72766285
2-[(1R)-cyclohex-2-en-1-yl]oxycyclohex-2-en-1-one
CID 101049555
4-Cyclohex-2-en-1-yloxycyclohexan-1-one
CID 114620030
4-[(Oxan-2-yl)methylidene]cyclohexan-1-one
CID 126844605

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yloxycyclohexan-1-one?
The IUPAC name of 2-cyclohex-2-en-1-yloxycyclohexan-1-one (CID 54003482) is 2-cyclohex-2-en-1-yloxycyclohexan-1-one.
What is the SMILES notation for 2-cyclohex-2-en-1-yloxycyclohexan-1-one?
The canonical SMILES for 2-cyclohex-2-en-1-yloxycyclohexan-1-one is O=C1CCCCC1OC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yloxycyclohexan-1-one?
The InChIKey is PQBJAEQVUINBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,6,10,12H,1,3-5,7-9H2.
What are the key properties of 2-cyclohex-2-en-1-yloxycyclohexan-1-one?
2-cyclohex-2-en-1-yloxycyclohexan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yloxycyclohexan-1-one is sourced from PubChem (CID 54003482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).