5-tert-butyl-4,6-dimethylnonane

C15H32 — CID 91526510

IUPAC5-tert-butyl-4,6-dimethylnonane
SMILESCCCC(C)C(C(C)CCC)C(C)(C)C
InChIInChI=1S/C15H32/c1-8-10-12(3)14(15(5,6)7)13(4)11-9-2/h12-14H,8-11H2,1-7H3
InChIKeyFMMFTOKKUONPIB-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds6

About 5-tert-butyl-4,6-dimethylnonane

5-tert-butyl-4,6-dimethylnonane (PubChem CID 91526510) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 5-tert-butyl-4,6-dimethylnonane.

Molecular Properties

Compound Name5-tert-butyl-4,6-dimethylnonane
PubChem CID91526510
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name5-tert-butyl-4,6-dimethylnonane
SMILESCCCC(C)C(C(C)CCC)C(C)(C)C
InChIInChI=1S/C15H32/c1-8-10-12(3)14(15(5,6)7)13(4)11-9-2/h12-14H,8-11H2,1-7H3
InChIKeyFMMFTOKKUONPIB-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-tert-butyl-4,6-dimethylnonane 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

3-fluoro-2,2,4-trimethylheptane
CID 123271530
3-ethyl-2,2,4-trimethylheptane
CID 22354769
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
7-tert-butyl-4,5-dimethyl-8-propylundecane
CID 123567067
2,2,5,6-tetramethyl-4-propan-2-ylnonane
CID 123310465
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
(3R)-3,4-dimethylheptane
CID 59819300
3-tert-butyl-2,2-dimethylhexane
CID 53428784
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
3-bromo-2,4-dimethylheptane
CID 79298351
2,2,4,6-tetramethylnonan-5-ol
CID 156689294

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4,6-dimethylnonane?
The IUPAC name of 5-tert-butyl-4,6-dimethylnonane (CID 91526510) is 5-tert-butyl-4,6-dimethylnonane.
What is the SMILES notation for 5-tert-butyl-4,6-dimethylnonane?
The canonical SMILES for 5-tert-butyl-4,6-dimethylnonane is CCCC(C)C(C(C)CCC)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4,6-dimethylnonane?
The InChIKey is FMMFTOKKUONPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-8-10-12(3)14(15(5,6)7)13(4)11-9-2/h12-14H,8-11H2,1-7H3.
What are the key properties of 5-tert-butyl-4,6-dimethylnonane?
5-tert-butyl-4,6-dimethylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4,6-dimethylnonane is sourced from PubChem (CID 91526510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).