dibutyl-heptyl-methylsilane

C16H36Si — CID 168803311

IUPACdibutyl-heptyl-methylsilane
SMILESCCCCCCC[Si](C)(CCCC)CCCC
InChIInChI=1S/C16H36Si/c1-5-8-11-12-13-16-17(4,14-9-6-2)15-10-7-3/h5-16H2,1-4H3
InChIKeyXCIMNLUJICBKLJ-UHFFFAOYSA-N
MW256.55 g/mol
LogP6.64
Rot. Bonds12

About dibutyl-heptyl-methylsilane

dibutyl-heptyl-methylsilane (PubChem CID 168803311) has the molecular formula C16H36Si and a molecular weight of 256.55 g/mol. Its IUPAC name is dibutyl-heptyl-methylsilane.

Molecular Properties

Compound Namedibutyl-heptyl-methylsilane
PubChem CID168803311
Molecular FormulaC16H36Si
Molecular Weight256.55 g/mol
Exact Mass256.26
IUPAC Namedibutyl-heptyl-methylsilane
SMILESCCCCCCC[Si](C)(CCCC)CCCC
InChIInChI=1S/C16H36Si/c1-5-8-11-12-13-16-17(4,14-9-6-2)15-10-7-3/h5-16H2,1-4H3
InChIKeyXCIMNLUJICBKLJ-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.55
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-heptyl-methyl-octylsilane
CID 168803305
decyl-hexadecyl-methyl-octylsilane
CID 14474508
6-[dihexyl(methyl)silyl]hexan-1-amine
CID 132992433
11-bromoundecyl-dibutyl-methylsilane
CID 162391784
butyl-dimethyl-undecylsilane
CID 54018421
butyl-dihexyl-octylsilane
CID 168803297
didecyl-methyl-oct-6-enylsilane
CID 54351323
trifluoro(tridecyl)silane
CID 537319
trifluoro(hexadecyl)silane
CID 141473475
butyl-hexyl-diiodosilane
CID 140745011
ethyl-heptyl-dimethylsilane
CID 90701403
butyl-chloro-methyl-pentylsilane
CID 87411075

Frequently Asked Questions

What is the IUPAC name of dibutyl-heptyl-methylsilane?
The IUPAC name of dibutyl-heptyl-methylsilane (CID 168803311) is dibutyl-heptyl-methylsilane.
What is the SMILES notation for dibutyl-heptyl-methylsilane?
The canonical SMILES for dibutyl-heptyl-methylsilane is CCCCCCC[Si](C)(CCCC)CCCC.
What is the InChIKey of dibutyl-heptyl-methylsilane?
The InChIKey is XCIMNLUJICBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36Si/c1-5-8-11-12-13-16-17(4,14-9-6-2)15-10-7-3/h5-16H2,1-4H3.
What are the key properties of dibutyl-heptyl-methylsilane?
dibutyl-heptyl-methylsilane has a molecular weight of 256.55 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-heptyl-methylsilane is sourced from PubChem (CID 168803311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).