4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one

C15H26O2 — CID 79416599

IUPAC4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one
SMILESCCC1CCC(=O)C(C2CCCC(OC)C2)C1
InChIInChI=1S/C15H26O2/c1-3-11-7-8-15(16)14(9-11)12-5-4-6-13(10-12)17-2/h11-14H,3-10H2,1-2H3
InChIKeyRXOAWAMLNWZOIR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.59
Rot. Bonds3

About 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one

4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one (PubChem CID 79416599) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one
PubChem CID79416599
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one
SMILESCCC1CCC(=O)C(C2CCCC(OC)C2)C1
InChIInChI=1S/C15H26O2/c1-3-11-7-8-15(16)14(9-11)12-5-4-6-13(10-12)17-2/h11-14H,3-10H2,1-2H3
InChIKeyRXOAWAMLNWZOIR-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one (CID 79416599) is 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one is CCC1CCC(=O)C(C2CCCC(OC)C2)C1.
What is the InChIKey of 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one?
The InChIKey is RXOAWAMLNWZOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-11-7-8-15(16)14(9-11)12-5-4-6-13(10-12)17-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one?
4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 79416599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).