cyclohex-4-ene-1,3-diol

C6H10O2 — CID 565903

IUPACcyclohex-4-ene-1,3-diol
SMILESOC1C=CCC(O)C1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h1-2,5-8H,3-4H2
InChIKeyFPQOEJPNPFCPNQ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.06
Rot. Bonds

About cyclohex-4-ene-1,3-diol

cyclohex-4-ene-1,3-diol (PubChem CID 565903) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is cyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Namecyclohex-4-ene-1,3-diol
PubChem CID565903
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecyclohex-4-ene-1,3-diol
SMILESOC1C=CCC(O)C1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h1-2,5-8H,3-4H2
InChIKeyFPQOEJPNPFCPNQ-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
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 cyclohex-4-ene-1,3-diol?
The IUPAC name of cyclohex-4-ene-1,3-diol (CID 565903) is cyclohex-4-ene-1,3-diol.
What is the SMILES notation for cyclohex-4-ene-1,3-diol?
The canonical SMILES for cyclohex-4-ene-1,3-diol is OC1C=CCC(O)C1.
What is the InChIKey of cyclohex-4-ene-1,3-diol?
The InChIKey is FPQOEJPNPFCPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h1-2,5-8H,3-4H2.
What are the key properties of cyclohex-4-ene-1,3-diol?
cyclohex-4-ene-1,3-diol has a molecular weight of 114.14 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-4-ene-1,3-diol is sourced from PubChem (CID 565903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).