4-methoxy-5,5-dimethylcyclohex-2-en-1-one

C9H14O2 — CID 141106352

IUPAC4-methoxy-5,5-dimethylcyclohex-2-en-1-one
SMILESCOC1C=CC(=O)CC1(C)C
InChIInChI=1S/C9H14O2/c1-9(2)6-7(10)4-5-8(9)11-3/h4-5,8H,6H2,1-3H3
InChIKeyVEDMHYCKMFHBDU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds1

About 4-methoxy-5,5-dimethylcyclohex-2-en-1-one

4-methoxy-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 141106352) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methoxy-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-5,5-dimethylcyclohex-2-en-1-one
PubChem CID141106352
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-methoxy-5,5-dimethylcyclohex-2-en-1-one
SMILESCOC1C=CC(=O)CC1(C)C
InChIInChI=1S/C9H14O2/c1-9(2)6-7(10)4-5-8(9)11-3/h4-5,8H,6H2,1-3H3
InChIKeyVEDMHYCKMFHBDU-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-methoxy-5,5-dimethylcyclohex-2-en-1-one (CID 141106352) is 4-methoxy-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-methoxy-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-methoxy-5,5-dimethylcyclohex-2-en-1-one is COC1C=CC(=O)CC1(C)C.
What is the InChIKey of 4-methoxy-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is VEDMHYCKMFHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2)6-7(10)4-5-8(9)11-3/h4-5,8H,6H2,1-3H3.
What are the key properties of 4-methoxy-5,5-dimethylcyclohex-2-en-1-one?
4-methoxy-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 141106352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).