3,5-dimethylcyclohex-3-ene-1,2-diol

C8H14O2 — CID 85423702

IUPAC3,5-dimethylcyclohex-3-ene-1,2-diol
SMILESCC1=CC(C)CC(O)C1O
InChIInChI=1S/C8H14O2/c1-5-3-6(2)8(10)7(9)4-5/h3,5,7-10H,4H2,1-2H3
InChIKeyLSUSREWOMNUSCD-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.69
Rot. Bonds

About 3,5-dimethylcyclohex-3-ene-1,2-diol

3,5-dimethylcyclohex-3-ene-1,2-diol (PubChem CID 85423702) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,5-dimethylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name3,5-dimethylcyclohex-3-ene-1,2-diol
PubChem CID85423702
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,5-dimethylcyclohex-3-ene-1,2-diol
SMILESCC1=CC(C)CC(O)C1O
InChIInChI=1S/C8H14O2/c1-5-3-6(2)8(10)7(9)4-5/h3,5,7-10H,4H2,1-2H3
InChIKeyLSUSREWOMNUSCD-UHFFFAOYSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.69
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 3,5-dimethylcyclohex-3-ene-1,2-diol?
The IUPAC name of 3,5-dimethylcyclohex-3-ene-1,2-diol (CID 85423702) is 3,5-dimethylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for 3,5-dimethylcyclohex-3-ene-1,2-diol?
The canonical SMILES for 3,5-dimethylcyclohex-3-ene-1,2-diol is CC1=CC(C)CC(O)C1O.
What is the InChIKey of 3,5-dimethylcyclohex-3-ene-1,2-diol?
The InChIKey is LSUSREWOMNUSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-6(2)8(10)7(9)4-5/h3,5,7-10H,4H2,1-2H3.
What are the key properties of 3,5-dimethylcyclohex-3-ene-1,2-diol?
3,5-dimethylcyclohex-3-ene-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 85423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).