1,4-dimethylcyclohexa-3,5-diene-1,3-diol

C8H12O2 — CID 154277759

IUPAC1,4-dimethylcyclohexa-3,5-diene-1,3-diol
SMILESCC1=C(O)CC(C)(O)C=C1
InChIInChI=1S/C8H12O2/c1-6-3-4-8(2,10)5-7(6)9/h3-4,9-10H,5H2,1-2H3
InChIKeyQQYLMOHKRDQLRM-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.53
Rot. Bonds

About 1,4-dimethylcyclohexa-3,5-diene-1,3-diol

1,4-dimethylcyclohexa-3,5-diene-1,3-diol (PubChem CID 154277759) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,4-dimethylcyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1,4-dimethylcyclohexa-3,5-diene-1,3-diol
PubChem CID154277759
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1,4-dimethylcyclohexa-3,5-diene-1,3-diol
SMILESCC1=C(O)CC(C)(O)C=C1
InChIInChI=1S/C8H12O2/c1-6-3-4-8(2,10)5-7(6)9/h3-4,9-10H,5H2,1-2H3
InChIKeyQQYLMOHKRDQLRM-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1,4-dimethylcyclohexa-3,5-diene-1,3-diol (CID 154277759) is 1,4-dimethylcyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1,4-dimethylcyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1,4-dimethylcyclohexa-3,5-diene-1,3-diol is CC1=C(O)CC(C)(O)C=C1.
What is the InChIKey of 1,4-dimethylcyclohexa-3,5-diene-1,3-diol?
The InChIKey is QQYLMOHKRDQLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-8(2,10)5-7(6)9/h3-4,9-10H,5H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexa-3,5-diene-1,3-diol?
1,4-dimethylcyclohexa-3,5-diene-1,3-diol has a molecular weight of 140.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 154277759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).