6,6-dimethylcyclohexa-1,3-diene-1,3-diol

C8H12O2 — CID 163590235

IUPAC6,6-dimethylcyclohexa-1,3-diene-1,3-diol
SMILESCC1(C)CC=C(O)C=C1O
InChIInChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3,5,9-10H,4H2,1-2H3
InChIKeyGOXPIRWGSKPHJU-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.30
Rot. Bonds

About 6,6-dimethylcyclohexa-1,3-diene-1,3-diol

6,6-dimethylcyclohexa-1,3-diene-1,3-diol (PubChem CID 163590235) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6,6-dimethylcyclohexa-1,3-diene-1,3-diol.

Molecular Properties

Compound Name6,6-dimethylcyclohexa-1,3-diene-1,3-diol
PubChem CID163590235
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6,6-dimethylcyclohexa-1,3-diene-1,3-diol
SMILESCC1(C)CC=C(O)C=C1O
InChIInChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3,5,9-10H,4H2,1-2H3
InChIKeyGOXPIRWGSKPHJU-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 154516421
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CID 100967958
3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 13297859
4-aminocyclopenta-1,4-dien-1-ol
CID 163712824
1-methylcyclopent-2-ene-1,2-diol
CID 70255213
2,5-dihydrochromene-4a,7-diol
CID 21416083
4,5-dichloro-4-nitrocyclohexa-1,5-dien-1-ol
CID 70602323
4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol
CID 143957840
1-(4,4-dimethylcyclobuten-1-yl)-2,2,2-trifluoroethanol
CID 46844924
6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol
CID 154169989
2-[(4-hydroxy-1-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)methyl]-4-methyl-5-propan-2-ylphenol
CID 70525877
(4-fluoro-5-hydroxy-4-methylcyclohexa-1,5-dien-1-yl) acetate
CID 167074355

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylcyclohexa-1,3-diene-1,3-diol?
The IUPAC name of 6,6-dimethylcyclohexa-1,3-diene-1,3-diol (CID 163590235) is 6,6-dimethylcyclohexa-1,3-diene-1,3-diol.
What is the SMILES notation for 6,6-dimethylcyclohexa-1,3-diene-1,3-diol?
The canonical SMILES for 6,6-dimethylcyclohexa-1,3-diene-1,3-diol is CC1(C)CC=C(O)C=C1O.
What is the InChIKey of 6,6-dimethylcyclohexa-1,3-diene-1,3-diol?
The InChIKey is GOXPIRWGSKPHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3,5,9-10H,4H2,1-2H3.
What are the key properties of 6,6-dimethylcyclohexa-1,3-diene-1,3-diol?
6,6-dimethylcyclohexa-1,3-diene-1,3-diol has a molecular weight of 140.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylcyclohexa-1,3-diene-1,3-diol is sourced from PubChem (CID 163590235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).