1-ethoxy-2-(1-methylcyclohexyl)ethanol

C11H22O2 — CID 134989395

IUPAC1-ethoxy-2-(1-methylcyclohexyl)ethanol
SMILESCCOC(O)CC1(C)CCCCC1
InChIInChI=1S/C11H22O2/c1-3-13-10(12)9-11(2)7-5-4-6-8-11/h10,12H,3-9H2,1-2H3
InChIKeyZNMYJGMYRFZECZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.70
Rot. Bonds4

About 1-ethoxy-2-(1-methylcyclohexyl)ethanol

1-ethoxy-2-(1-methylcyclohexyl)ethanol (PubChem CID 134989395) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-ethoxy-2-(1-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-ethoxy-2-(1-methylcyclohexyl)ethanol
PubChem CID134989395
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-ethoxy-2-(1-methylcyclohexyl)ethanol
SMILESCCOC(O)CC1(C)CCCCC1
InChIInChI=1S/C11H22O2/c1-3-13-10(12)9-11(2)7-5-4-6-8-11/h10,12H,3-9H2,1-2H3
InChIKeyZNMYJGMYRFZECZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(1-methylcyclohexyl)ethanol?
The IUPAC name of 1-ethoxy-2-(1-methylcyclohexyl)ethanol (CID 134989395) is 1-ethoxy-2-(1-methylcyclohexyl)ethanol.
What is the SMILES notation for 1-ethoxy-2-(1-methylcyclohexyl)ethanol?
The canonical SMILES for 1-ethoxy-2-(1-methylcyclohexyl)ethanol is CCOC(O)CC1(C)CCCCC1.
What is the InChIKey of 1-ethoxy-2-(1-methylcyclohexyl)ethanol?
The InChIKey is ZNMYJGMYRFZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-13-10(12)9-11(2)7-5-4-6-8-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-2-(1-methylcyclohexyl)ethanol?
1-ethoxy-2-(1-methylcyclohexyl)ethanol has a molecular weight of 186.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1-methylcyclohexyl)ethanol is sourced from PubChem (CID 134989395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).