6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol

C11H18O — CID 23192488

IUPAC6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C11H18O/c1-4-5-9-6-7-10(12)11(2,3)8-9/h6-7,12H,4-5,8H2,1-3H3
InChIKeyRCKGYZPTQWYKAK-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.58
Rot. Bonds2

About 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol

6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol (PubChem CID 23192488) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol
PubChem CID23192488
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C11H18O/c1-4-5-9-6-7-10(12)11(2,3)8-9/h6-7,12H,4-5,8H2,1-3H3
InChIKeyRCKGYZPTQWYKAK-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol (CID 23192488) is 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol is CCCC1=CC=C(O)C(C)(C)C1.
What is the InChIKey of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
The InChIKey is RCKGYZPTQWYKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-5-9-6-7-10(12)11(2,3)8-9/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 23192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).