3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

C8H10O3 — CID 550690

IUPAC3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1(C)C(=O)C=C(O)C=C1O
InChIInChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,9-10H,1-2H3
InChIKeyZAQQZMZXYOTJAB-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.48
Rot. Bonds

About 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 550690) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID550690
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1(C)C(=O)C=C(O)C=C1O
InChIInChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,9-10H,1-2H3
InChIKeyZAQQZMZXYOTJAB-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one (CID 550690) is 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one is CC1(C)C(=O)C=C(O)C=C1O.
What is the InChIKey of 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is ZAQQZMZXYOTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,9-10H,1-2H3.
What are the key properties of 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one?
3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 550690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).