1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol

C15H26O — CID 20511088

IUPAC1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CCC(O)(C(C)C)C(C(C)C)=C1
InChIInChI=1S/C15H26O/c1-10(2)13-7-8-15(16,12(5)6)14(9-13)11(3)4/h7,9-12,16H,8H2,1-6H3
InChIKeyIPNBTVAOSHOATK-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds3

About 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol

1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 20511088) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID20511088
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CCC(O)(C(C)C)C(C(C)C)=C1
InChIInChI=1S/C15H26O/c1-10(2)13-7-8-15(16,12(5)6)14(9-13)11(3)4/h7,9-12,16H,8H2,1-6H3
InChIKeyIPNBTVAOSHOATK-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,4-tri(propan-2-yl)cyclohexa-2,4-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 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol (CID 20511088) is 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol is CC(C)C1=CCC(O)(C(C)C)C(C(C)C)=C1.
What is the InChIKey of 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is IPNBTVAOSHOATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)13-7-8-15(16,12(5)6)14(9-13)11(3)4/h7,9-12,16H,8H2,1-6H3.
What are the key properties of 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol?
1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tri(propan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 20511088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).