1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone

C14H22O — CID 71527330

IUPAC1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCCC[C@H]1C1=CCCCC1
InChIInChI=1S/C14H22O/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyZMOOUZTWQKBNEI-KBPBESRZSA-N
MW206.33 g/mol
LogP3.88
Rot. Bonds2

About 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone

1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone (PubChem CID 71527330) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
PubChem CID71527330
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCCC[C@H]1C1=CCCCC1
InChIInChI=1S/C14H22O/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyZMOOUZTWQKBNEI-KBPBESRZSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone (CID 71527330) is 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone is CC(=O)[C@@H]1CCCC[C@H]1C1=CCCCC1.
What is the InChIKey of 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone?
The InChIKey is ZMOOUZTWQKBNEI-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22O/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone?
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone has a molecular weight of 206.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone is sourced from PubChem (CID 71527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).