1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol

C14H24O — CID 173132142

IUPAC1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCCC(O)C1=CCCC=C1
InChIInChI=1S/C14H24O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h5,8-9,13,15H,4,6-7,10-11H2,1-3H3
InChIKeyLNIQLKQKFFOYCX-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol

1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol (PubChem CID 173132142) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
PubChem CID173132142
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCCC(O)C1=CCCC=C1
InChIInChI=1S/C14H24O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h5,8-9,13,15H,4,6-7,10-11H2,1-3H3
InChIKeyLNIQLKQKFFOYCX-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-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 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol (CID 173132142) is 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol is CC(C)(C)CCCC(O)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol?
The InChIKey is LNIQLKQKFFOYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h5,8-9,13,15H,4,6-7,10-11H2,1-3H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol?
1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 173132142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).