disilanyl(3-isocyanatopentyl)silane

C6H17NOSi3 — CID 151401742

IUPACdisilanyl(3-isocyanatopentyl)silane
SMILESCCC(CC[SiH2][SiH2][SiH3])N=C=O
InChIInChI=1S/C6H17NOSi3/c1-2-6(7-5-8)3-4-10-11-9/h6H,2-4,10-11H2,1,9H3
InChIKeyOWQBNJUQILKVMM-UHFFFAOYSA-N
MW203.47 g/mol
LogP-1.56
Rot. Bonds6

About disilanyl(3-isocyanatopentyl)silane

disilanyl(3-isocyanatopentyl)silane (PubChem CID 151401742) has the molecular formula C6H17NOSi3 and a molecular weight of 203.47 g/mol. Its IUPAC name is disilanyl(3-isocyanatopentyl)silane.

Molecular Properties

Compound Namedisilanyl(3-isocyanatopentyl)silane
PubChem CID151401742
Molecular FormulaC6H17NOSi3
Molecular Weight203.47 g/mol
Exact Mass203.06
IUPAC Namedisilanyl(3-isocyanatopentyl)silane
SMILESCCC(CC[SiH2][SiH2][SiH3])N=C=O
InChIInChI=1S/C6H17NOSi3/c1-2-6(7-5-8)3-4-10-11-9/h6H,2-4,10-11H2,1,9H3
InChIKeyOWQBNJUQILKVMM-UHFFFAOYSA-N
XLogP-1.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.47
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilanyl(3-isocyanatopentyl)silane?
The IUPAC name of disilanyl(3-isocyanatopentyl)silane (CID 151401742) is disilanyl(3-isocyanatopentyl)silane.
What is the SMILES notation for disilanyl(3-isocyanatopentyl)silane?
The canonical SMILES for disilanyl(3-isocyanatopentyl)silane is CCC(CC[SiH2][SiH2][SiH3])N=C=O.
What is the InChIKey of disilanyl(3-isocyanatopentyl)silane?
The InChIKey is OWQBNJUQILKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NOSi3/c1-2-6(7-5-8)3-4-10-11-9/h6H,2-4,10-11H2,1,9H3.
What are the key properties of disilanyl(3-isocyanatopentyl)silane?
disilanyl(3-isocyanatopentyl)silane has a molecular weight of 203.47 g/mol, XLogP of -1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disilanyl(3-isocyanatopentyl)silane is sourced from PubChem (CID 151401742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).