2,4,6,7-tetramethylnonan-5-ol

C13H28O — CID 156689826

IUPAC2,4,6,7-tetramethylnonan-5-ol
SMILESCCC(C)C(C)C(O)C(C)CC(C)C
InChIInChI=1S/C13H28O/c1-7-10(4)12(6)13(14)11(5)8-9(2)3/h9-14H,7-8H2,1-6H3
InChIKeyCDBYQJSALCAASX-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.71
Rot. Bonds6

About 2,4,6,7-tetramethylnonan-5-ol

2,4,6,7-tetramethylnonan-5-ol (PubChem CID 156689826) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,4,6,7-tetramethylnonan-5-ol.

Molecular Properties

Compound Name2,4,6,7-tetramethylnonan-5-ol
PubChem CID156689826
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,4,6,7-tetramethylnonan-5-ol
SMILESCCC(C)C(C)C(O)C(C)CC(C)C
InChIInChI=1S/C13H28O/c1-7-10(4)12(6)13(14)11(5)8-9(2)3/h9-14H,7-8H2,1-6H3
InChIKeyCDBYQJSALCAASX-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 2,4,6,7-tetramethylnonan-5-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

2,4,6,8,10,12-hexamethyltridecan-7-ol
CID 170848745
2,4,6-trimethylnonan-5-ol
CID 156689482
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
2,4-dimethyl-6-propylnonan-5-ol
CID 156689504
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
8-methylnonane-3,4,5,6-tetrol
CID 88909679
(4S)-2,3,4-trimethylhexane
CID 58359072
(2S,3R)-3-methylpentan-2-ol
CID 6993006
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,4,5,6,8,9,10,12-octamethyltridecane
CID 159934910

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7-tetramethylnonan-5-ol?
The IUPAC name of 2,4,6,7-tetramethylnonan-5-ol (CID 156689826) is 2,4,6,7-tetramethylnonan-5-ol.
What is the SMILES notation for 2,4,6,7-tetramethylnonan-5-ol?
The canonical SMILES for 2,4,6,7-tetramethylnonan-5-ol is CCC(C)C(C)C(O)C(C)CC(C)C.
What is the InChIKey of 2,4,6,7-tetramethylnonan-5-ol?
The InChIKey is CDBYQJSALCAASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-7-10(4)12(6)13(14)11(5)8-9(2)3/h9-14H,7-8H2,1-6H3.
What are the key properties of 2,4,6,7-tetramethylnonan-5-ol?
2,4,6,7-tetramethylnonan-5-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 2,4,6,7-tetramethylnonan-5-ol is sourced from PubChem (CID 156689826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).