2,4-dimethylcyclohexa-1,5-diene-1,4-diol

C8H12O2 — CID 19733893

IUPAC2,4-dimethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(O)C=CC(C)(O)C1
InChIInChI=1S/C8H12O2/c1-6-5-8(2,10)4-3-7(6)9/h3-4,9-10H,5H2,1-2H3
InChIKeyNOGAMVDNLKUHRH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.53
Rot. Bonds

About 2,4-dimethylcyclohexa-1,5-diene-1,4-diol

2,4-dimethylcyclohexa-1,5-diene-1,4-diol (PubChem CID 19733893) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,4-dimethylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name2,4-dimethylcyclohexa-1,5-diene-1,4-diol
PubChem CID19733893
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,4-dimethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(O)C=CC(C)(O)C1
InChIInChI=1S/C8H12O2/c1-6-5-8(2,10)4-3-7(6)9/h3-4,9-10H,5H2,1-2H3
InChIKeyNOGAMVDNLKUHRH-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 2,4-dimethylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 2,4-dimethylcyclohexa-1,5-diene-1,4-diol (CID 19733893) is 2,4-dimethylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 2,4-dimethylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 2,4-dimethylcyclohexa-1,5-diene-1,4-diol is CC1=C(O)C=CC(C)(O)C1.
What is the InChIKey of 2,4-dimethylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is NOGAMVDNLKUHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-8(2,10)4-3-7(6)9/h3-4,9-10H,5H2,1-2H3.
What are the key properties of 2,4-dimethylcyclohexa-1,5-diene-1,4-diol?
2,4-dimethylcyclohexa-1,5-diene-1,4-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 2,4-dimethylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 19733893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).