2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol

C10H18O2 — CID 12540335

IUPAC2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
SMILESOCCC1CC=CCC1CCO
InChIInChI=1S/C10H18O2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-2,9-12H,3-8H2
InChIKeyHGXPCDHQAPCSPU-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds4

About 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol

2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol (PubChem CID 12540335) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
PubChem CID12540335
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
SMILESOCCC1CC=CCC1CCO
InChIInChI=1S/C10H18O2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-2,9-12H,3-8H2
InChIKeyHGXPCDHQAPCSPU-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
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 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol (CID 12540335) is 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol is OCCC1CC=CCC1CCO.
What is the InChIKey of 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is HGXPCDHQAPCSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-2,9-12H,3-8H2.
What are the key properties of 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethyl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 12540335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).