(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol

C9H14O — CID 66826478

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1C=CC=CC1(C)CO
InChIInChI=1S/C9H14O/c1-8-5-3-4-6-9(8,2)7-10/h3-6,8,10H,7H2,1-2H3
InChIKeyBGUGQBIPCJHNCN-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.75
Rot. Bonds1

About (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol

(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 66826478) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID66826478
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1C=CC=CC1(C)CO
InChIInChI=1S/C9H14O/c1-8-5-3-4-6-9(8,2)7-10/h3-6,8,10H,7H2,1-2H3
InChIKeyBGUGQBIPCJHNCN-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol 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 (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol (CID 66826478) is (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol is CC1C=CC=CC1(C)CO.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is BGUGQBIPCJHNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-5-3-4-6-9(8,2)7-10/h3-6,8,10H,7H2,1-2H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol?
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 138.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 66826478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).