2-cyclohex-3-en-1-ylethane-1,1-diol

C8H14O2 — CID 18519469

IUPAC2-cyclohex-3-en-1-ylethane-1,1-diol
SMILESOC(O)CC1CC=CCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7-10H,3-6H2
InChIKeyQRIKFWBAERXVBV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.04
Rot. Bonds2

About 2-cyclohex-3-en-1-ylethane-1,1-diol

2-cyclohex-3-en-1-ylethane-1,1-diol (PubChem CID 18519469) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylethane-1,1-diol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylethane-1,1-diol
PubChem CID18519469
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-cyclohex-3-en-1-ylethane-1,1-diol
SMILESOC(O)CC1CC=CCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7-10H,3-6H2
InChIKeyQRIKFWBAERXVBV-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylethane-1,1-diol?
The IUPAC name of 2-cyclohex-3-en-1-ylethane-1,1-diol (CID 18519469) is 2-cyclohex-3-en-1-ylethane-1,1-diol.
What is the SMILES notation for 2-cyclohex-3-en-1-ylethane-1,1-diol?
The canonical SMILES for 2-cyclohex-3-en-1-ylethane-1,1-diol is OC(O)CC1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylethane-1,1-diol?
The InChIKey is QRIKFWBAERXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h1-2,7-10H,3-6H2.
What are the key properties of 2-cyclohex-3-en-1-ylethane-1,1-diol?
2-cyclohex-3-en-1-ylethane-1,1-diol has a molecular weight of 142.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylethane-1,1-diol is sourced from PubChem (CID 18519469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).