1-(3,5-dimethylcyclohexyl)-2-methoxyethanone

C11H20O2 — CID 64729888

IUPAC1-(3,5-dimethylcyclohexyl)-2-methoxyethanone
SMILESCOCC(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C11H20O2/c1-8-4-9(2)6-10(5-8)11(12)7-13-3/h8-10H,4-7H2,1-3H3
InChIKeyPTDOHJWAKQWBCS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone

1-(3,5-dimethylcyclohexyl)-2-methoxyethanone (PubChem CID 64729888) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-methoxyethanone
PubChem CID64729888
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-methoxyethanone
SMILESCOCC(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C11H20O2/c1-8-4-9(2)6-10(5-8)11(12)7-13-3/h8-10H,4-7H2,1-3H3
InChIKeyPTDOHJWAKQWBCS-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone (CID 64729888) is 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone is COCC(=O)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone?
The InChIKey is PTDOHJWAKQWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-4-9(2)6-10(5-8)11(12)7-13-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone?
1-(3,5-dimethylcyclohexyl)-2-methoxyethanone has a molecular weight of 184.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-methoxyethanone is sourced from PubChem (CID 64729888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).