2,2,4,6-tetramethylheptan-3-ol

C11H24O — CID 89214446

IUPAC2,2,4,6-tetramethylheptan-3-ol
SMILESCC(C)CC(C)C(O)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8(2)7-9(3)10(12)11(4,5)6/h8-10,12H,7H2,1-6H3
InChIKeyHZLHENAKWTWRGX-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds3

About 2,2,4,6-tetramethylheptan-3-ol

2,2,4,6-tetramethylheptan-3-ol (PubChem CID 89214446) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,2,4,6-tetramethylheptan-3-ol.

Molecular Properties

Compound Name2,2,4,6-tetramethylheptan-3-ol
PubChem CID89214446
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,2,4,6-tetramethylheptan-3-ol
SMILESCC(C)CC(C)C(O)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8(2)7-9(3)10(12)11(4,5)6/h8-10,12H,7H2,1-6H3
InChIKeyHZLHENAKWTWRGX-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4,6-tetramethylheptan-3-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 2,2,4,6-tetramethylheptan-3-ol?
The IUPAC name of 2,2,4,6-tetramethylheptan-3-ol (CID 89214446) is 2,2,4,6-tetramethylheptan-3-ol.
What is the SMILES notation for 2,2,4,6-tetramethylheptan-3-ol?
The canonical SMILES for 2,2,4,6-tetramethylheptan-3-ol is CC(C)CC(C)C(O)C(C)(C)C.
What is the InChIKey of 2,2,4,6-tetramethylheptan-3-ol?
The InChIKey is HZLHENAKWTWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-8(2)7-9(3)10(12)11(4,5)6/h8-10,12H,7H2,1-6H3.
What are the key properties of 2,2,4,6-tetramethylheptan-3-ol?
2,2,4,6-tetramethylheptan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethylheptan-3-ol is sourced from PubChem (CID 89214446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).