2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one

C12H20O — CID 79417674

IUPAC2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CC2CC2)C1
InChIInChI=1S/C12H20O/c1-2-9-5-6-12(13)11(7-9)8-10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyOLICSVDPTLUPDE-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.18
Rot. Bonds3

About 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one

2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one (PubChem CID 79417674) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
PubChem CID79417674
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CC2CC2)C1
InChIInChI=1S/C12H20O/c1-2-9-5-6-12(13)11(7-9)8-10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyOLICSVDPTLUPDE-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one (CID 79417674) is 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one?
The InChIKey is OLICSVDPTLUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-9-5-6-12(13)11(7-9)8-10-3-4-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one?
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one is sourced from PubChem (CID 79417674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).