2,4,5,5,7-pentamethyloctan-1-ol

C13H28O — CID 57192301

IUPAC2,4,5,5,7-pentamethyloctan-1-ol
SMILESCC(C)CC(C)(C)C(C)CC(C)CO
InChIInChI=1S/C13H28O/c1-10(2)8-13(5,6)12(4)7-11(3)9-14/h10-12,14H,7-9H2,1-6H3
InChIKeyYZYCDWUWQATLNN-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.71
Rot. Bonds6

About 2,4,5,5,7-pentamethyloctan-1-ol

2,4,5,5,7-pentamethyloctan-1-ol (PubChem CID 57192301) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,4,5,5,7-pentamethyloctan-1-ol.

Molecular Properties

Compound Name2,4,5,5,7-pentamethyloctan-1-ol
PubChem CID57192301
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,4,5,5,7-pentamethyloctan-1-ol
SMILESCC(C)CC(C)(C)C(C)CC(C)CO
InChIInChI=1S/C13H28O/c1-10(2)8-13(5,6)12(4)7-11(3)9-14/h10-12,14H,7-9H2,1-6H3
InChIKeyYZYCDWUWQATLNN-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,5,5,7-pentamethyloctan-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

Related Compounds

2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938
2,4-dimethylpentane-1,5-diol
CID 10964552
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2,4,6,8-tetramethyldecane-1,8-diol
CID 87893087
6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol
CID 167217593
2,2,3,4,4,6-hexamethylheptane
CID 57491289
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978
ethane;2-methylpropane-1,3-diol
CID 87127502
2,2,4,6-tetramethylheptan-1-ol
CID 156689267
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066

Frequently Asked Questions

What is the IUPAC name of 2,4,5,5,7-pentamethyloctan-1-ol?
The IUPAC name of 2,4,5,5,7-pentamethyloctan-1-ol (CID 57192301) is 2,4,5,5,7-pentamethyloctan-1-ol.
What is the SMILES notation for 2,4,5,5,7-pentamethyloctan-1-ol?
The canonical SMILES for 2,4,5,5,7-pentamethyloctan-1-ol is CC(C)CC(C)(C)C(C)CC(C)CO.
What is the InChIKey of 2,4,5,5,7-pentamethyloctan-1-ol?
The InChIKey is YZYCDWUWQATLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-10(2)8-13(5,6)12(4)7-11(3)9-14/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 2,4,5,5,7-pentamethyloctan-1-ol?
2,4,5,5,7-pentamethyloctan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5,7-pentamethyloctan-1-ol is sourced from PubChem (CID 57192301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).