6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol

C10H18O2 — CID 14281470

IUPAC6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol
SMILESCCC1(CCO)CCC=CC1O
InChIInChI=1S/C10H18O2/c1-2-10(7-8-11)6-4-3-5-9(10)12/h3,5,9,11-12H,2,4,6-8H2,1H3
InChIKeyGCEIOCDSQHBBSH-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.48
Rot. Bonds3

About 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol

6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol (PubChem CID 14281470) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol
PubChem CID14281470
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol
SMILESCCC1(CCO)CCC=CC1O
InChIInChI=1S/C10H18O2/c1-2-10(7-8-11)6-4-3-5-9(10)12/h3,5,9,11-12H,2,4,6-8H2,1H3
InChIKeyGCEIOCDSQHBBSH-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.48
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-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol?
The IUPAC name of 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol (CID 14281470) is 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol is CCC1(CCO)CCC=CC1O.
What is the InChIKey of 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol?
The InChIKey is GCEIOCDSQHBBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-10(7-8-11)6-4-3-5-9(10)12/h3,5,9,11-12H,2,4,6-8H2,1H3.
What are the key properties of 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol?
6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-(2-hydroxyethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 14281470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).