3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol

C12H22O2 — CID 10420276

IUPAC3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCCOC1=CC(C)(O)C(C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-5-14-10-6-7-11(9(2)3)12(4,13)8-10/h8-9,11,13H,5-7H2,1-4H3
InChIKeyIZYRDCZATDAFKW-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.72
Rot. Bonds3

About 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol

3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 10420276) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
PubChem CID10420276
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCCOC1=CC(C)(O)C(C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-5-14-10-6-7-11(9(2)3)12(4,13)8-10/h8-9,11,13H,5-7H2,1-4H3
InChIKeyIZYRDCZATDAFKW-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol 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 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol (CID 10420276) is 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol is CCOC1=CC(C)(O)C(C(C)C)CC1.
What is the InChIKey of 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is IZYRDCZATDAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-14-10-6-7-11(9(2)3)12(4,13)8-10/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-6-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 10420276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).