1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol

C11H20O2 — CID 14250322

IUPAC1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol
SMILESCCOC1CC=C(C(C)O)C(C)C1
InChIInChI=1S/C11H20O2/c1-4-13-10-5-6-11(9(3)12)8(2)7-10/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyCIYHDHXLNCRIFP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol

1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol (PubChem CID 14250322) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol
PubChem CID14250322
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol
SMILESCCOC1CC=C(C(C)O)C(C)C1
InChIInChI=1S/C11H20O2/c1-4-13-10-5-6-11(9(3)12)8(2)7-10/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyCIYHDHXLNCRIFP-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol?
The IUPAC name of 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol (CID 14250322) is 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol is CCOC1CC=C(C(C)O)C(C)C1.
What is the InChIKey of 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol?
The InChIKey is CIYHDHXLNCRIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-10-5-6-11(9(3)12)8(2)7-10/h6,8-10,12H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol?
1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylcyclohexen-1-yl)ethanol is sourced from PubChem (CID 14250322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).