3,4-dimethylcyclohexa-1,3-dien-1-ol

C8H12O — CID 54232129

IUPAC3,4-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(C)CCC(O)=C1
InChIInChI=1S/C8H12O/c1-6-3-4-8(9)5-7(6)2/h5,9H,3-4H2,1-2H3
InChIKeyQKAHMGDEXATUFK-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.56
Rot. Bonds

About 3,4-dimethylcyclohexa-1,3-dien-1-ol

3,4-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 54232129) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3,4-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3,4-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID54232129
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3,4-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(C)CCC(O)=C1
InChIInChI=1S/C8H12O/c1-6-3-4-8(9)5-7(6)2/h5,9H,3-4H2,1-2H3
InChIKeyQKAHMGDEXATUFK-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Cyclohexadiene, 1-methoxy-4-methyl-
CID 10986221
4-Methoxy-1,2-dimethylcyclohexa-1,3-diene
CID 13087975
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198
2,6-Dimethylcresol
CID 69992119
Octadien-4-ol
CID 88096319
3h-Naphthol
CID 101083012
3-Hydroxy squalene
CID 129672375
2,6-Difluoro-4-methylcyclohexa-1,3-dien-1-ol
CID 67121662
4-Ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 70212259
5-Fluoro-2-methylcyclohexa-1,3-dien-1-ol
CID 89265183
6-Fluoro-3-methylcyclohexa-1,3-dien-1-ol
CID 126627063
(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol
CID 126706777

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3,4-dimethylcyclohexa-1,3-dien-1-ol (CID 54232129) is 3,4-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3,4-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3,4-dimethylcyclohexa-1,3-dien-1-ol is CC1=C(C)CCC(O)=C1.
What is the InChIKey of 3,4-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is QKAHMGDEXATUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-3-4-8(9)5-7(6)2/h5,9H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethylcyclohexa-1,3-dien-1-ol?
3,4-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 54232129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).