4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one

C11H18O2 — CID 123264903

IUPAC4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one
SMILESCOCCC1(C)CCC(=O)C=C1C
InChIInChI=1S/C11H18O2/c1-9-8-10(12)4-5-11(9,2)6-7-13-3/h8H,4-7H2,1-3H3
InChIKeyKGVHSDAJWWFULD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds3

About 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one

4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one (PubChem CID 123264903) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one
PubChem CID123264903
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one
SMILESCOCCC1(C)CCC(=O)C=C1C
InChIInChI=1S/C11H18O2/c1-9-8-10(12)4-5-11(9,2)6-7-13-3/h8H,4-7H2,1-3H3
InChIKeyKGVHSDAJWWFULD-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one (CID 123264903) is 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one is COCCC1(C)CCC(=O)C=C1C.
What is the InChIKey of 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one?
The InChIKey is KGVHSDAJWWFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-8-10(12)4-5-11(9,2)6-7-13-3/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one?
4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 123264903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).