1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane

C15H42Si6 — CID 6421125

IUPAC1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane
SMILESCCCC[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C15H42Si6/c1-13-14-15-21(12)19(8,9)17(4,5)16(2,3)18(6,7)20(21,10)11/h13-15H2,1-12H3
InChIKeyLEWWXUAGWXHSGC-UHFFFAOYSA-N
MW391.02 g/mol
LogP5.89
Rot. Bonds3

About 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane

1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane (PubChem CID 6421125) has the molecular formula C15H42Si6 and a molecular weight of 391.02 g/mol. Its IUPAC name is 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane.

Molecular Properties

Compound Name1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane
PubChem CID6421125
Molecular FormulaC15H42Si6
Molecular Weight391.02 g/mol
Exact Mass390.19
IUPAC Name1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane
SMILESCCCC[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C15H42Si6/c1-13-14-15-21(12)19(8,9)17(4,5)16(2,3)18(6,7)20(21,10)11/h13-15H2,1-12H3
InChIKeyLEWWXUAGWXHSGC-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.02
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane?
The IUPAC name of 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane (CID 6421125) is 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane.
What is the SMILES notation for 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane?
The canonical SMILES for 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane is CCCC[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C.
What is the InChIKey of 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane?
The InChIKey is LEWWXUAGWXHSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H42Si6/c1-13-14-15-21(12)19(8,9)17(4,5)16(2,3)18(6,7)20(21,10)11/h13-15H2,1-12H3.
What are the key properties of 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane?
1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane has a molecular weight of 391.02 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane is sourced from PubChem (CID 6421125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).