3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol

C11H20O3 — CID 15275573

IUPAC3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol
SMILESCCOC1=CC(O)C(C)(CCO)CC1
InChIInChI=1S/C11H20O3/c1-3-14-9-4-5-11(2,6-7-12)10(13)8-9/h8,10,12-13H,3-7H2,1-2H3
InChIKeyJJYDHIXZHWZBPM-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds4

About 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol

3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol (PubChem CID 15275573) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol
PubChem CID15275573
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol
SMILESCCOC1=CC(O)C(C)(CCO)CC1
InChIInChI=1S/C11H20O3/c1-3-14-9-4-5-11(2,6-7-12)10(13)8-9/h8,10,12-13H,3-7H2,1-2H3
InChIKeyJJYDHIXZHWZBPM-UHFFFAOYSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
The IUPAC name of 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol (CID 15275573) is 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
The canonical SMILES for 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol is CCOC1=CC(O)C(C)(CCO)CC1.
What is the InChIKey of 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
The InChIKey is JJYDHIXZHWZBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-14-9-4-5-11(2,6-7-12)10(13)8-9/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 15275573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).