2-(2-hydroxyethylidene)cyclohexane-1,3-diol

C8H14O3 — CID 130127302

IUPAC2-(2-hydroxyethylidene)cyclohexane-1,3-diol
SMILESOCC=C1C(O)CCCC1O
InChIInChI=1S/C8H14O3/c9-5-4-6-7(10)2-1-3-8(6)11/h4,7-11H,1-3,5H2
InChIKeyNYUGZBWHVGYOMN-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.19
Rot. Bonds1

About 2-(2-hydroxyethylidene)cyclohexane-1,3-diol

2-(2-hydroxyethylidene)cyclohexane-1,3-diol (PubChem CID 130127302) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylidene)cyclohexane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethylidene)cyclohexane-1,3-diol
PubChem CID130127302
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(2-hydroxyethylidene)cyclohexane-1,3-diol
SMILESOCC=C1C(O)CCCC1O
InChIInChI=1S/C8H14O3/c9-5-4-6-7(10)2-1-3-8(6)11/h4,7-11H,1-3,5H2
InChIKeyNYUGZBWHVGYOMN-UHFFFAOYSA-N
XLogP-0.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-hydroxyethylidene)cyclohexane-1,3-diol?
The IUPAC name of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol (CID 130127302) is 2-(2-hydroxyethylidene)cyclohexane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethylidene)cyclohexane-1,3-diol is OCC=C1C(O)CCCC1O.
What is the InChIKey of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?
The InChIKey is NYUGZBWHVGYOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-5-4-6-7(10)2-1-3-8(6)11/h4,7-11H,1-3,5H2.
What are the key properties of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?
2-(2-hydroxyethylidene)cyclohexane-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylidene)cyclohexane-1,3-diol is sourced from PubChem (CID 130127302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).