cyclohexene-1,3-diol

C6H10O2 — CID 22465913

IUPACcyclohexene-1,3-diol
SMILESOC1=CC(O)CCC1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h4-5,7-8H,1-3H2
InChIKeyFQIOIIHMJRLJNV-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.97
Rot. Bonds

About cyclohexene-1,3-diol

cyclohexene-1,3-diol (PubChem CID 22465913) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is cyclohexene-1,3-diol.

Molecular Properties

Compound Namecyclohexene-1,3-diol
PubChem CID22465913
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecyclohexene-1,3-diol
SMILESOC1=CC(O)CCC1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h4-5,7-8H,1-3H2
InChIKeyFQIOIIHMJRLJNV-UHFFFAOYSA-N
XLogP0.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,3-diol?
The IUPAC name of cyclohexene-1,3-diol (CID 22465913) is cyclohexene-1,3-diol.
What is the SMILES notation for cyclohexene-1,3-diol?
The canonical SMILES for cyclohexene-1,3-diol is OC1=CC(O)CCC1.
What is the InChIKey of cyclohexene-1,3-diol?
The InChIKey is FQIOIIHMJRLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h4-5,7-8H,1-3H2.
What are the key properties of cyclohexene-1,3-diol?
cyclohexene-1,3-diol has a molecular weight of 114.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,3-diol is sourced from PubChem (CID 22465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).