5-butyl-3,3-dimethylnonane

C15H32 — CID 123518865

IUPAC5-butyl-3,3-dimethylnonane
SMILESCCCCC(CCCC)CC(C)(C)CC
InChIInChI=1S/C15H32/c1-6-9-11-14(12-10-7-2)13-15(4,5)8-3/h14H,6-13H2,1-5H3
InChIKeyYSZJXLIGIMZQPJ-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds9

About 5-butyl-3,3-dimethylnonane

5-butyl-3,3-dimethylnonane (PubChem CID 123518865) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 5-butyl-3,3-dimethylnonane.

Molecular Properties

Compound Name5-butyl-3,3-dimethylnonane
PubChem CID123518865
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name5-butyl-3,3-dimethylnonane
SMILESCCCCC(CCCC)CC(C)(C)CC
InChIInChI=1S/C15H32/c1-6-9-11-14(12-10-7-2)13-15(4,5)8-3/h14H,6-13H2,1-5H3
InChIKeyYSZJXLIGIMZQPJ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-butyl-3,3-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

3,3,5-trimethylnonane
CID 53424862
1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389
3,3-dimethylpentane;2-methylhexane
CID 158289309
3,3,8-trimethyl-5-propyldecane
CID 142826348
2-bromo-6-ethyl-4,4-dimethyldecane
CID 64717913
3,5-diethylnonan-3-amine
CID 63408454
17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane
CID 165097427
(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3,3-dimethylnonane?
The IUPAC name of 5-butyl-3,3-dimethylnonane (CID 123518865) is 5-butyl-3,3-dimethylnonane.
What is the SMILES notation for 5-butyl-3,3-dimethylnonane?
The canonical SMILES for 5-butyl-3,3-dimethylnonane is CCCCC(CCCC)CC(C)(C)CC.
What is the InChIKey of 5-butyl-3,3-dimethylnonane?
The InChIKey is YSZJXLIGIMZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-9-11-14(12-10-7-2)13-15(4,5)8-3/h14H,6-13H2,1-5H3.
What are the key properties of 5-butyl-3,3-dimethylnonane?
5-butyl-3,3-dimethylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3,3-dimethylnonane is sourced from PubChem (CID 123518865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).