3,5,6-trimethylcyclohexa-2,4-dien-1-ol

C9H14O — CID 152794150

IUPAC3,5,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)C(C)=C1
InChIInChI=1S/C9H14O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,8-10H,1-3H3
InChIKeySKMVDAYHXRISCY-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds

About 3,5,6-trimethylcyclohexa-2,4-dien-1-ol

3,5,6-trimethylcyclohexa-2,4-dien-1-ol (PubChem CID 152794150) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,5,6-trimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3,5,6-trimethylcyclohexa-2,4-dien-1-ol
PubChem CID152794150
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3,5,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)C(C)=C1
InChIInChI=1S/C9H14O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,8-10H,1-3H3
InChIKeySKMVDAYHXRISCY-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene
CID 142929908
3-amino-5-methylcyclohexa-3,5-diene-1,2-diol
CID 162425810
2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
CID 163653794
3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 154059355
(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
5-chloro-1,3-dimethylcyclopenta-1,3-diene
CID 174422418
(2,4-dimethylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699516
(2,4-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 152642756
2,4-dimethylcyclobut-2-en-1-ol
CID 173489444
1-ethyl-3,5-dimethylcyclopenta-1,3-diene
CID 91803964
2,4-dimethyl-7-thiabicyclo[4.1.0]hepta-2,4-diene
CID 151758145
(1R,2S)-5-chloro-3-methylcyclohexa-3,5-diene-1,2-diol
CID 126961013

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3,5,6-trimethylcyclohexa-2,4-dien-1-ol (CID 152794150) is 3,5,6-trimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3,5,6-trimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3,5,6-trimethylcyclohexa-2,4-dien-1-ol is CC1=CC(O)C(C)C(C)=C1.
What is the InChIKey of 3,5,6-trimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is SKMVDAYHXRISCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,8-10H,1-3H3.
What are the key properties of 3,5,6-trimethylcyclohexa-2,4-dien-1-ol?
3,5,6-trimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 152794150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).