3-chloropropyl(triethoxy)silane;isocyanatosilane

C10H24ClNO4Si2 — CID 175325315

IUPAC3-chloropropyl(triethoxy)silane;isocyanatosilane
SMILESCCO[Si](CCCCl)(OCC)OCC.O=C=N[SiH3]
InChIInChI=1S/C9H21ClO3Si.CH3NOSi/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;3-1-2-4/h4-9H2,1-3H3;4H3
InChIKeyGKCSLWPWUODYSA-UHFFFAOYSA-N
MW313.93 g/mol
LogP1.27
Rot. Bonds9

About 3-chloropropyl(triethoxy)silane;isocyanatosilane

3-chloropropyl(triethoxy)silane;isocyanatosilane (PubChem CID 175325315) has the molecular formula C10H24ClNO4Si2 and a molecular weight of 313.93 g/mol. Its IUPAC name is 3-chloropropyl(triethoxy)silane;isocyanatosilane.

Molecular Properties

Compound Name3-chloropropyl(triethoxy)silane;isocyanatosilane
PubChem CID175325315
Molecular FormulaC10H24ClNO4Si2
Molecular Weight313.93 g/mol
Exact Mass313.09
IUPAC Name3-chloropropyl(triethoxy)silane;isocyanatosilane
SMILESCCO[Si](CCCCl)(OCC)OCC.O=C=N[SiH3]
InChIInChI=1S/C9H21ClO3Si.CH3NOSi/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;3-1-2-4/h4-9H2,1-3H3;4H3
InChIKeyGKCSLWPWUODYSA-UHFFFAOYSA-N
XLogP1.27
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.93
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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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Related Compounds

28-chlorooctacosyl(triethoxy)silane
CID 87685970
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N,N'-bis(3-triethoxysilylpropyl)methanediimine
CID 11339909
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
triethoxy-[3-[silyl(3-triethoxysilylpropyl)silyl]propyl]silane
CID 162102309
CID 24897072
CID 24897072
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(triethoxy)silane;isocyanatosilane?
The IUPAC name of 3-chloropropyl(triethoxy)silane;isocyanatosilane (CID 175325315) is 3-chloropropyl(triethoxy)silane;isocyanatosilane.
What is the SMILES notation for 3-chloropropyl(triethoxy)silane;isocyanatosilane?
The canonical SMILES for 3-chloropropyl(triethoxy)silane;isocyanatosilane is CCO[Si](CCCCl)(OCC)OCC.O=C=N[SiH3].
What is the InChIKey of 3-chloropropyl(triethoxy)silane;isocyanatosilane?
The InChIKey is GKCSLWPWUODYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3Si.CH3NOSi/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;3-1-2-4/h4-9H2,1-3H3;4H3.
What are the key properties of 3-chloropropyl(triethoxy)silane;isocyanatosilane?
3-chloropropyl(triethoxy)silane;isocyanatosilane has a molecular weight of 313.93 g/mol, XLogP of 1.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(triethoxy)silane;isocyanatosilane is sourced from PubChem (CID 175325315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).