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

C9H14O — CID 23437332

IUPAC1,3,5-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C)(O)CC(C)=C1
InChIInChI=1S/C9H14O/c1-7-4-8(2)6-9(3,10)5-7/h4-5,10H,6H2,1-3H3
InChIKeyVIKBFDZHWYLUJQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds

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

1,3,5-trimethylcyclohexa-2,4-dien-1-ol (PubChem CID 23437332) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,3,5-trimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3,5-trimethylcyclohexa-2,4-dien-1-ol
PubChem CID23437332
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1,3,5-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C)(O)CC(C)=C1
InChIInChI=1S/C9H14O/c1-7-4-8(2)6-9(3,10)5-7/h4-5,10H,6H2,1-3H3
InChIKeyVIKBFDZHWYLUJQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3,5-trimethylcyclohexa-2,4-dien-1-ol (CID 23437332) is 1,3,5-trimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3,5-trimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3,5-trimethylcyclohexa-2,4-dien-1-ol is CC1=CC(C)(O)CC(C)=C1.
What is the InChIKey of 1,3,5-trimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is VIKBFDZHWYLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-4-8(2)6-9(3,10)5-7/h4-5,10H,6H2,1-3H3.
What are the key properties of 1,3,5-trimethylcyclohexa-2,4-dien-1-ol?
1,3,5-trimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23437332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).