3,3,4,5-tetramethylheptan-4-ol

C11H24O — CID 22899418

IUPAC3,3,4,5-tetramethylheptan-4-ol
SMILESCCC(C)C(C)(O)C(C)(C)CC
InChIInChI=1S/C11H24O/c1-7-9(3)11(6,12)10(4,5)8-2/h9,12H,7-8H2,1-6H3
InChIKeyCIYBBIUOQHDYRK-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds4

About 3,3,4,5-tetramethylheptan-4-ol

3,3,4,5-tetramethylheptan-4-ol (PubChem CID 22899418) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3,3,4,5-tetramethylheptan-4-ol.

Molecular Properties

Compound Name3,3,4,5-tetramethylheptan-4-ol
PubChem CID22899418
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3,3,4,5-tetramethylheptan-4-ol
SMILESCCC(C)C(C)(O)C(C)(C)CC
InChIInChI=1S/C11H24O/c1-7-9(3)11(6,12)10(4,5)8-2/h9,12H,7-8H2,1-6H3
InChIKeyCIYBBIUOQHDYRK-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,4,5-tetramethylheptan-4-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 3,3,4,5-tetramethylheptan-4-ol?
The IUPAC name of 3,3,4,5-tetramethylheptan-4-ol (CID 22899418) is 3,3,4,5-tetramethylheptan-4-ol.
What is the SMILES notation for 3,3,4,5-tetramethylheptan-4-ol?
The canonical SMILES for 3,3,4,5-tetramethylheptan-4-ol is CCC(C)C(C)(O)C(C)(C)CC.
What is the InChIKey of 3,3,4,5-tetramethylheptan-4-ol?
The InChIKey is CIYBBIUOQHDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-9(3)11(6,12)10(4,5)8-2/h9,12H,7-8H2,1-6H3.
What are the key properties of 3,3,4,5-tetramethylheptan-4-ol?
3,3,4,5-tetramethylheptan-4-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetramethylheptan-4-ol is sourced from PubChem (CID 22899418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).