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

C12H18O2 — CID 114620030

IUPAC4-cyclohex-2-en-1-yloxycyclohexan-1-one
SMILESO=C1CCC(OC2C=CCCC2)CC1
InChIInChI=1S/C12H18O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,11-12H,1,3,5-9H2
InChIKeyMOJQTRAEEZOYNN-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds2

About 4-cyclohex-2-en-1-yloxycyclohexan-1-one

4-cyclohex-2-en-1-yloxycyclohexan-1-one (PubChem CID 114620030) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxycyclohexan-1-one.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxycyclohexan-1-one
PubChem CID114620030
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-cyclohex-2-en-1-yloxycyclohexan-1-one
SMILESO=C1CCC(OC2C=CCCC2)CC1
InChIInChI=1S/C12H18O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,11-12H,1,3,5-9H2
InChIKeyMOJQTRAEEZOYNN-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

Cyclohex-2-en-1-yl hexanoate
CID 139108915
2-Cyclohex-2-en-1-yloxycyclohexan-1-one
CID 54003482
4,6,7,7a-tetrahydro-2H-1-benzofuran-5-one
CID 67958551
8-Cyclohexyloxyoct-6-en-2-one
CID 85965216
1-Oxacyclohexadec-14-en-5-one
CID 91140502
4-(2,5-Dihydrofuran-2-yl)butan-2-one
CID 168911268
4-[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexan-1-one
CID 177058054
4-(1-Methoxycyclohexyl)oxycyclohex-2-en-1-one
CID 10966158
Dicyclohex-2-en-1-yl hexanedioate
CID 12322412
4-Butan-2-yloxycyclohex-2-en-1-one
CID 15275787
(E)-5-methoxyoct-6-en-2-one
CID 15877258
4-But-3-en-2-yloxycyclohexan-1-one
CID 104455745

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxycyclohexan-1-one?
The IUPAC name of 4-cyclohex-2-en-1-yloxycyclohexan-1-one (CID 114620030) is 4-cyclohex-2-en-1-yloxycyclohexan-1-one.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxycyclohexan-1-one?
The canonical SMILES for 4-cyclohex-2-en-1-yloxycyclohexan-1-one is O=C1CCC(OC2C=CCCC2)CC1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxycyclohexan-1-one?
The InChIKey is MOJQTRAEEZOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4,11-12H,1,3,5-9H2.
What are the key properties of 4-cyclohex-2-en-1-yloxycyclohexan-1-one?
4-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 4-cyclohex-2-en-1-yloxycyclohexan-1-one is sourced from PubChem (CID 114620030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).