bis(5-butylnonan-5-yl)silane

C26H56Si — CID 173414247

IUPACbis(5-butylnonan-5-yl)silane
SMILESCCCCC(CCCC)(CCCC)[SiH2]C(CCCC)(CCCC)CCCC
InChIInChI=1S/C26H56Si/c1-7-13-19-25(20-14-8-2,21-15-9-3)27-26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24,27H2,1-6H3
InChIKeyNJBUQOHUQWWWRX-UHFFFAOYSA-N
MW396.82 g/mol
LogP9.61
Rot. Bonds20

About bis(5-butylnonan-5-yl)silane

bis(5-butylnonan-5-yl)silane (PubChem CID 173414247) has the molecular formula C26H56Si and a molecular weight of 396.82 g/mol. Its IUPAC name is bis(5-butylnonan-5-yl)silane.

Molecular Properties

Compound Namebis(5-butylnonan-5-yl)silane
PubChem CID173414247
Molecular FormulaC26H56Si
Molecular Weight396.82 g/mol
Exact Mass396.42
IUPAC Namebis(5-butylnonan-5-yl)silane
SMILESCCCCC(CCCC)(CCCC)[SiH2]C(CCCC)(CCCC)CCCC
InChIInChI=1S/C26H56Si/c1-7-13-19-25(20-14-8-2,21-15-9-3)27-26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24,27H2,1-6H3
InChIKeyNJBUQOHUQWWWRX-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;octane
CID 173403164
2,2-dimethylhexane
CID 169424592
hexane;molybdenum
CID 162092649
2,2,3,3-tetrachloroheptane
CID 54246303
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
5-bromo-5-butylnonane
CID 23146783
5,5-difluorononane
CID 21410163
azane;2,2-dimethylhexane
CID 161105081
N,N,5-tributylnonan-5-amine
CID 175088572
ethyl(2-ethylsilylhexan-2-yl)silane
CID 174897486
beryllium;hexane;hydride
CID 173045264
calcium;pentane;dichloride
CID 174907743

Frequently Asked Questions

What is the IUPAC name of bis(5-butylnonan-5-yl)silane?
The IUPAC name of bis(5-butylnonan-5-yl)silane (CID 173414247) is bis(5-butylnonan-5-yl)silane.
What is the SMILES notation for bis(5-butylnonan-5-yl)silane?
The canonical SMILES for bis(5-butylnonan-5-yl)silane is CCCCC(CCCC)(CCCC)[SiH2]C(CCCC)(CCCC)CCCC.
What is the InChIKey of bis(5-butylnonan-5-yl)silane?
The InChIKey is NJBUQOHUQWWWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56Si/c1-7-13-19-25(20-14-8-2,21-15-9-3)27-26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24,27H2,1-6H3.
What are the key properties of bis(5-butylnonan-5-yl)silane?
bis(5-butylnonan-5-yl)silane has a molecular weight of 396.82 g/mol, XLogP of 9.61, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-butylnonan-5-yl)silane is sourced from PubChem (CID 173414247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).