2-(cyclohexen-1-yl)cyclohex-2-en-1-one

C12H16O — CID 122375169

IUPAC2-(cyclohexen-1-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C1=CCCCC1
InChIInChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,8H,1-5,7,9H2
InChIKeyBMPFRLGCUQAHEN-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.17
Rot. Bonds1

About 2-(cyclohexen-1-yl)cyclohex-2-en-1-one

2-(cyclohexen-1-yl)cyclohex-2-en-1-one (PubChem CID 122375169) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)cyclohex-2-en-1-one
PubChem CID122375169
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(cyclohexen-1-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C1=CCCCC1
InChIInChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,8H,1-5,7,9H2
InChIKeyBMPFRLGCUQAHEN-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(cyclohexen-1-yl)cyclohex-2-en-1-one (CID 122375169) is 2-(cyclohexen-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(cyclohexen-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(cyclohexen-1-yl)cyclohex-2-en-1-one is O=C1CCCC=C1C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)cyclohex-2-en-1-one?
The InChIKey is BMPFRLGCUQAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,8H,1-5,7,9H2.
What are the key properties of 2-(cyclohexen-1-yl)cyclohex-2-en-1-one?
2-(cyclohexen-1-yl)cyclohex-2-en-1-one has a molecular weight of 176.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 122375169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).