1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone

C11H20O2 — CID 83226150

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
SMILESCOC1(C(C)=O)CCC(C)(C)CC1
InChIInChI=1S/C11H20O2/c1-9(12)11(13-4)7-5-10(2,3)6-8-11/h5-8H2,1-4H3
InChIKeyFFQZEHFMUXIPOF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds2

About 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone

1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone (PubChem CID 83226150) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
PubChem CID83226150
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
SMILESCOC1(C(C)=O)CCC(C)(C)CC1
InChIInChI=1S/C11H20O2/c1-9(12)11(13-4)7-5-10(2,3)6-8-11/h5-8H2,1-4H3
InChIKeyFFQZEHFMUXIPOF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone (CID 83226150) is 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone is COC1(C(C)=O)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The InChIKey is FFQZEHFMUXIPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(12)11(13-4)7-5-10(2,3)6-8-11/h5-8H2,1-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone has a molecular weight of 184.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 83226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).