5-butyl-2,3-dimethylnonane

C15H32 — CID 123894711

IUPAC5-butyl-2,3-dimethylnonane
SMILESCCCCC(CCCC)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-6-8-10-15(11-9-7-2)12-14(5)13(3)4/h13-15H,6-12H2,1-5H3
InChIKeyRGZSPVDVCHSBPA-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 5-butyl-2,3-dimethylnonane

5-butyl-2,3-dimethylnonane (PubChem CID 123894711) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 5-butyl-2,3-dimethylnonane.

Molecular Properties

Compound Name5-butyl-2,3-dimethylnonane
PubChem CID123894711
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name5-butyl-2,3-dimethylnonane
SMILESCCCCC(CCCC)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-6-8-10-15(11-9-7-2)12-14(5)13(3)4/h13-15H,6-12H2,1-5H3
InChIKeyRGZSPVDVCHSBPA-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(2,3-dimethylbutyl)octadecane
CID 123942362
5-butyl-7,8-dimethylnon-1-ene
CID 123319665
5,9-dibutyl-7-methyltridecane
CID 20810653
6-ethyl-2,3-dimethyldecane
CID 57491764
2,3-dimethylheptane;ethane
CID 156648444
(3R)-2,3-dimethylheptane;ethane
CID 163241846
5,7-dibutylundecane;nonane
CID 159714693
alumane;2,3-dimethylheptane
CID 174508099
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
6-butyl-4,8-dipropylundecane
CID 158410657
2-methyl-5-(2-methylpropyl)nonane
CID 57492288

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,3-dimethylnonane?
The IUPAC name of 5-butyl-2,3-dimethylnonane (CID 123894711) is 5-butyl-2,3-dimethylnonane.
What is the SMILES notation for 5-butyl-2,3-dimethylnonane?
The canonical SMILES for 5-butyl-2,3-dimethylnonane is CCCCC(CCCC)CC(C)C(C)C.
What is the InChIKey of 5-butyl-2,3-dimethylnonane?
The InChIKey is RGZSPVDVCHSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-10-15(11-9-7-2)12-14(5)13(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 5-butyl-2,3-dimethylnonane?
5-butyl-2,3-dimethylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,3-dimethylnonane is sourced from PubChem (CID 123894711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).