1,5,6-trimethylcyclohex-2-ene-1,4-diol

C9H16O2 — CID 70431994

IUPAC1,5,6-trimethylcyclohex-2-ene-1,4-diol
SMILESCC1C(O)C=CC(C)(O)C1C
InChIInChI=1S/C9H16O2/c1-6-7(2)9(3,11)5-4-8(6)10/h4-8,10-11H,1-3H3
InChIKeyLUANKILCZKCEFL-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.94
Rot. Bonds

About 1,5,6-trimethylcyclohex-2-ene-1,4-diol

1,5,6-trimethylcyclohex-2-ene-1,4-diol (PubChem CID 70431994) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,5,6-trimethylcyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name1,5,6-trimethylcyclohex-2-ene-1,4-diol
PubChem CID70431994
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,5,6-trimethylcyclohex-2-ene-1,4-diol
SMILESCC1C(O)C=CC(C)(O)C1C
InChIInChI=1S/C9H16O2/c1-6-7(2)9(3,11)5-4-8(6)10/h4-8,10-11H,1-3H3
InChIKeyLUANKILCZKCEFL-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.94
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 1,5,6-trimethylcyclohex-2-ene-1,4-diol?
The IUPAC name of 1,5,6-trimethylcyclohex-2-ene-1,4-diol (CID 70431994) is 1,5,6-trimethylcyclohex-2-ene-1,4-diol.
What is the SMILES notation for 1,5,6-trimethylcyclohex-2-ene-1,4-diol?
The canonical SMILES for 1,5,6-trimethylcyclohex-2-ene-1,4-diol is CC1C(O)C=CC(C)(O)C1C.
What is the InChIKey of 1,5,6-trimethylcyclohex-2-ene-1,4-diol?
The InChIKey is LUANKILCZKCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-7(2)9(3,11)5-4-8(6)10/h4-8,10-11H,1-3H3.
What are the key properties of 1,5,6-trimethylcyclohex-2-ene-1,4-diol?
1,5,6-trimethylcyclohex-2-ene-1,4-diol has a molecular weight of 156.22 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethylcyclohex-2-ene-1,4-diol is sourced from PubChem (CID 70431994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).