1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one

C11H18O3 — CID 163507869

IUPAC1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one
SMILESCCC(=O)C1=CCC(OC)C(OC)C1
InChIInChI=1S/C11H18O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5,10-11H,4,6-7H2,1-3H3
InChIKeyDABXRXHQPRZGHN-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.72
Rot. Bonds4

About 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one

1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one (PubChem CID 163507869) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one
PubChem CID163507869
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one
SMILESCCC(=O)C1=CCC(OC)C(OC)C1
InChIInChI=1S/C11H18O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5,10-11H,4,6-7H2,1-3H3
InChIKeyDABXRXHQPRZGHN-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one?
The IUPAC name of 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one (CID 163507869) is 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one.
What is the SMILES notation for 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one?
The canonical SMILES for 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one is CCC(=O)C1=CCC(OC)C(OC)C1.
What is the InChIKey of 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one?
The InChIKey is DABXRXHQPRZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5,10-11H,4,6-7H2,1-3H3.
What are the key properties of 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one?
1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxycyclohexen-1-yl)propan-1-one is sourced from PubChem (CID 163507869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).