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

C9H14O — CID 23284232

IUPAC4,6,6-trimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C9H14O/c1-7-4-5-8(10)9(2,3)6-7/h4-5,10H,6H2,1-3H3
InChIKeyGLHIICHYMPVXBT-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.80
Rot. Bonds

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

4,6,6-trimethylcyclohexa-1,3-dien-1-ol (PubChem CID 23284232) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,6,6-trimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4,6,6-trimethylcyclohexa-1,3-dien-1-ol
PubChem CID23284232
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4,6,6-trimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C9H14O/c1-7-4-5-8(10)9(2,3)6-7/h4-5,10H,6H2,1-3H3
InChIKeyGLHIICHYMPVXBT-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4,6,6-trimethylcyclohexa-1,3-dien-1-ol (CID 23284232) is 4,6,6-trimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4,6,6-trimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4,6,6-trimethylcyclohexa-1,3-dien-1-ol is CC1=CC=C(O)C(C)(C)C1.
What is the InChIKey of 4,6,6-trimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is GLHIICHYMPVXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-4-5-8(10)9(2,3)6-7/h4-5,10H,6H2,1-3H3.
What are the key properties of 4,6,6-trimethylcyclohexa-1,3-dien-1-ol?
4,6,6-trimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 23284232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).