2-cyclohexyl-1-(cycloocten-1-yl)ethanone

C16H26O — CID 106655870

IUPAC2-cyclohexyl-1-(cycloocten-1-yl)ethanone
SMILESO=C(CC1CCCCC1)C1=CCCCCCC1
InChIInChI=1S/C16H26O/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h11,14H,1-10,12-13H2
InChIKeyLYLDMSUGXHUVDS-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.81
Rot. Bonds3

About 2-cyclohexyl-1-(cycloocten-1-yl)ethanone

2-cyclohexyl-1-(cycloocten-1-yl)ethanone (PubChem CID 106655870) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-(cycloocten-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(cycloocten-1-yl)ethanone
PubChem CID106655870
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-cyclohexyl-1-(cycloocten-1-yl)ethanone
SMILESO=C(CC1CCCCC1)C1=CCCCCCC1
InChIInChI=1S/C16H26O/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h11,14H,1-10,12-13H2
InChIKeyLYLDMSUGXHUVDS-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
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CID 106655243
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162468
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655516
cyclohexen-1-yl-(2-ethylcyclohexyl)methanone
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1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(cycloocten-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(cycloocten-1-yl)ethanone (CID 106655870) is 2-cyclohexyl-1-(cycloocten-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(cycloocten-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(cycloocten-1-yl)ethanone is O=C(CC1CCCCC1)C1=CCCCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(cycloocten-1-yl)ethanone?
The InChIKey is LYLDMSUGXHUVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h11,14H,1-10,12-13H2.
What are the key properties of 2-cyclohexyl-1-(cycloocten-1-yl)ethanone?
2-cyclohexyl-1-(cycloocten-1-yl)ethanone has a molecular weight of 234.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(cycloocten-1-yl)ethanone is sourced from PubChem (CID 106655870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).