2,2-dimethylcyclohepta-4,6-diene-1,3-diol

C9H14O2 — CID 130145484

IUPAC2,2-dimethylcyclohepta-4,6-diene-1,3-diol
SMILESCC1(C)C(O)C=CC=CC1O
InChIInChI=1S/C9H14O2/c1-9(2)7(10)5-3-4-6-8(9)11/h3-8,10-11H,1-2H3
InChIKeyPOIHAQZHSSRNQU-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.86
Rot. Bonds

About 2,2-dimethylcyclohepta-4,6-diene-1,3-diol

2,2-dimethylcyclohepta-4,6-diene-1,3-diol (PubChem CID 130145484) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-dimethylcyclohepta-4,6-diene-1,3-diol.

Molecular Properties

Compound Name2,2-dimethylcyclohepta-4,6-diene-1,3-diol
PubChem CID130145484
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,2-dimethylcyclohepta-4,6-diene-1,3-diol
SMILESCC1(C)C(O)C=CC=CC1O
InChIInChI=1S/C9H14O2/c1-9(2)7(10)5-3-4-6-8(9)11/h3-8,10-11H,1-2H3
InChIKeyPOIHAQZHSSRNQU-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylcyclohepta-4,6-diene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
CID 11622337
6-amino-6-fluorocyclohexa-2,4-dien-1-ol
CID 69333479
6-amino-6-bromocyclohexa-2,4-dien-1-ol
CID 68848046
6-methyl-6-propylcyclohexa-2,4-dien-1-ol
CID 70425979
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene
CID 71408761
6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
CID 69459384
6-chloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154395848
6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69104269
ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 145169284
6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol
CID 172822423
[(1S,4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-yl] acetate
CID 11095055

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohepta-4,6-diene-1,3-diol?
The IUPAC name of 2,2-dimethylcyclohepta-4,6-diene-1,3-diol (CID 130145484) is 2,2-dimethylcyclohepta-4,6-diene-1,3-diol.
What is the SMILES notation for 2,2-dimethylcyclohepta-4,6-diene-1,3-diol?
The canonical SMILES for 2,2-dimethylcyclohepta-4,6-diene-1,3-diol is CC1(C)C(O)C=CC=CC1O.
What is the InChIKey of 2,2-dimethylcyclohepta-4,6-diene-1,3-diol?
The InChIKey is POIHAQZHSSRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2)7(10)5-3-4-6-8(9)11/h3-8,10-11H,1-2H3.
What are the key properties of 2,2-dimethylcyclohepta-4,6-diene-1,3-diol?
2,2-dimethylcyclohepta-4,6-diene-1,3-diol has a molecular weight of 154.21 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohepta-4,6-diene-1,3-diol is sourced from PubChem (CID 130145484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).