1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone

C15H26O2 — CID 104751838

IUPAC1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H26O2/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13/h12-14H,2-11H2,1H3
InChIKeyCSLUIRGTNSXIDF-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.73
Rot. Bonds4

About 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone

1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 104751838) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
PubChem CID104751838
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H26O2/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13/h12-14H,2-11H2,1H3
InChIKeyCSLUIRGTNSXIDF-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11041407
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Ethyl 3-cyclohexyl-2-oxopropanoate
CID 316609
Ethanone, 2-(acetyloxy)-1-cyclohexyl-
CID 4318486
1-Cyclohexyl-2-methoxyethanone
CID 12237915
(1-Cyclohexyl-2-oxopropyl) acetate
CID 20612544
1-Oxaspiro[5.5]undecan-7-one
CID 102144098
1-Cyclohexyl-3-ethoxy-2-butanone
CID 552107
Ethyl 4-cyclohexyl-2-oxo-butyrate
CID 13454680
(5-Methyl-2-propan-2-ylcyclohexyl) 2-cyclohexyl-2-oxoacetate
CID 14337135
1-Cyclohexyl-1-methoxypropan-2-one
CID 57809485

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone (CID 104751838) is 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone is CC1CCCC(OCC(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is CSLUIRGTNSXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-6-5-9-14(10-12)17-11-15(16)13-7-3-2-4-8-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone?
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 238.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 104751838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).