(1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol

C8H14O3 — CID 134995635

IUPAC(1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol
SMILESOCCO[C@@H]1C=CCC[C@@H]1O
InChIInChI=1S/C8H14O3/c9-5-6-11-8-4-2-1-3-7(8)10/h2,4,7-10H,1,3,5-6H2/t7-,8+/m0/s1
InChIKeyHBJUYLIIGPPWFW-JGVFFNPUSA-N
MW158.20 g/mol
LogP0.07
Rot. Bonds3

About (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol

(1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol (PubChem CID 134995635) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol
PubChem CID134995635
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol
SMILESOCCO[C@@H]1C=CCC[C@@H]1O
InChIInChI=1S/C8H14O3/c9-5-6-11-8-4-2-1-3-7(8)10/h2,4,7-10H,1,3,5-6H2/t7-,8+/m0/s1
InChIKeyHBJUYLIIGPPWFW-JGVFFNPUSA-N
XLogP0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (E)-
CID 6445069
3-Cyclohexene-1,2-diol
CID 12407016
(1S,2S)-Cyclohex-3-ene-1,2-diol
CID 10855422
(1R,2S,4Z,8R)-11-oxabicyclo[6.2.1]undeca-4,9-dien-2-ol
CID 90666465
Ichthyothereol
CID 6451387
(3,6-dihydro-2H-pyran-2-yl)methanol
CID 13438404
(1R,2R)-cyclohex-3-ene-1,2-diol
CID 9812769
(1S,2R,3R,6S)-6-[(1S,4R,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]oxycyclohex-4-ene-1,2,3-triol
CID 9970553
(1R,2R,3R,4S)-3-[(1S,4R,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]oxycyclohex-5-ene-1,2,4-triol
CID 10446016
(2R,3S)-2-[(E)-3-hydroxyprop-1-enyl]oxan-3-ol
CID 44397596
3,4-Epoxy-1,2,3,4-tetrahydrobenzene-1,2-diol
CID 127540
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol (CID 134995635) is (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol is OCCO[C@@H]1C=CCC[C@@H]1O.
What is the InChIKey of (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol?
The InChIKey is HBJUYLIIGPPWFW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O3/c9-5-6-11-8-4-2-1-3-7(8)10/h2,4,7-10H,1,3,5-6H2/t7-,8+/m0/s1.
What are the key properties of (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol?
(1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol has a molecular weight of 158.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(2-hydroxyethoxy)cyclohex-3-en-1-ol is sourced from PubChem (CID 134995635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).