3,4,5-trimethylheptan-4-ol

C10H22O — CID 568087

IUPAC3,4,5-trimethylheptan-4-ol
SMILESCCC(C)C(C)(O)C(C)CC
InChIInChI=1S/C10H22O/c1-6-8(3)10(5,11)9(4)7-2/h8-9,11H,6-7H2,1-5H3
InChIKeyHTUFXQFRZKIOBH-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds4

About 3,4,5-trimethylheptan-4-ol

3,4,5-trimethylheptan-4-ol (PubChem CID 568087) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,4,5-trimethylheptan-4-ol.

Molecular Properties

Compound Name3,4,5-trimethylheptan-4-ol
PubChem CID568087
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,4,5-trimethylheptan-4-ol
SMILESCCC(C)C(C)(O)C(C)CC
InChIInChI=1S/C10H22O/c1-6-8(3)10(5,11)9(4)7-2/h8-9,11H,6-7H2,1-5H3
InChIKeyHTUFXQFRZKIOBH-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4,5-trimethylheptan-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 3,4,5-trimethylheptan-4-ol?
The IUPAC name of 3,4,5-trimethylheptan-4-ol (CID 568087) is 3,4,5-trimethylheptan-4-ol.
What is the SMILES notation for 3,4,5-trimethylheptan-4-ol?
The canonical SMILES for 3,4,5-trimethylheptan-4-ol is CCC(C)C(C)(O)C(C)CC.
What is the InChIKey of 3,4,5-trimethylheptan-4-ol?
The InChIKey is HTUFXQFRZKIOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-8(3)10(5,11)9(4)7-2/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3,4,5-trimethylheptan-4-ol?
3,4,5-trimethylheptan-4-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylheptan-4-ol is sourced from PubChem (CID 568087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).