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

C9H16O2 — CID 169408952

IUPAC6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol
SMILESCC1(CCO)CCC=CC1O
InChIInChI=1S/C9H16O2/c1-9(6-7-10)5-3-2-4-8(9)11/h2,4,8,10-11H,3,5-7H2,1H3
InChIKeyFVQFYXJVIIXUCO-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.09
Rot. Bonds2

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

6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol (PubChem CID 169408952) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol
PubChem CID169408952
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol
SMILESCC1(CCO)CCC=CC1O
InChIInChI=1S/C9H16O2/c1-9(6-7-10)5-3-2-4-8(9)11/h2,4,8,10-11H,3,5-7H2,1H3
InChIKeyFVQFYXJVIIXUCO-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
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 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
The IUPAC name of 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol (CID 169408952) is 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
The canonical SMILES for 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol is CC1(CCO)CCC=CC1O.
What is the InChIKey of 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
The InChIKey is FVQFYXJVIIXUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(6-7-10)5-3-2-4-8(9)11/h2,4,8,10-11H,3,5-7H2,1H3.
What are the key properties of 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol?
6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-6-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 169408952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).