6-(2-hydroxyethyl)cyclohex-3-en-1-ol

C8H14O2 — CID 130142627

IUPAC6-(2-hydroxyethyl)cyclohex-3-en-1-ol
SMILESOCCC1CC=CCC1O
InChIInChI=1S/C8H14O2/c9-6-5-7-3-1-2-4-8(7)10/h1-2,7-10H,3-6H2
InChIKeyZGBNOBSEJOICML-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.70
Rot. Bonds2

About 6-(2-hydroxyethyl)cyclohex-3-en-1-ol

6-(2-hydroxyethyl)cyclohex-3-en-1-ol (PubChem CID 130142627) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name6-(2-hydroxyethyl)cyclohex-3-en-1-ol
PubChem CID130142627
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-(2-hydroxyethyl)cyclohex-3-en-1-ol
SMILESOCCC1CC=CCC1O
InChIInChI=1S/C8H14O2/c9-6-5-7-3-1-2-4-8(7)10/h1-2,7-10H,3-6H2
InChIKeyZGBNOBSEJOICML-UHFFFAOYSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol
CID 101064622
cis-(1R,2S)-2-(2-hydroxyethyl)cyclohexan-1-ol
CID 71357650
(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
CID 10583053
[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
CID 55303042
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
CID 139094019
(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
CID 129236515
2-(2,3-dihydrofuran-2-yl)ethanol
CID 139790059
[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 18326902
2-cyclohept-4-en-1-ylethanol
CID 123466891
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
CID 11171290

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)cyclohex-3-en-1-ol?
The IUPAC name of 6-(2-hydroxyethyl)cyclohex-3-en-1-ol (CID 130142627) is 6-(2-hydroxyethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 6-(2-hydroxyethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 6-(2-hydroxyethyl)cyclohex-3-en-1-ol is OCCC1CC=CCC1O.
What is the InChIKey of 6-(2-hydroxyethyl)cyclohex-3-en-1-ol?
The InChIKey is ZGBNOBSEJOICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-5-7-3-1-2-4-8(7)10/h1-2,7-10H,3-6H2.
What are the key properties of 6-(2-hydroxyethyl)cyclohex-3-en-1-ol?
6-(2-hydroxyethyl)cyclohex-3-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 130142627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).