[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate

C14H31NO7Si2 — CID 87101175

IUPAC[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
SMILESCCO[Si](CCCN=C=O)(OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H31NO7Si2/c1-6-17-23(18-7-2,13-11-12-15-14-16)22-24(19-8-3,20-9-4)21-10-5/h6-13H2,1-5H3
InChIKeySEVZWXMDFNYKKZ-UHFFFAOYSA-N
MW381.57 g/mol
LogP2.29
Rot. Bonds16

About [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate

[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate (PubChem CID 87101175) has the molecular formula C14H31NO7Si2 and a molecular weight of 381.57 g/mol. Its IUPAC name is [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate.

Molecular Properties

Compound Name[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
PubChem CID87101175
Molecular FormulaC14H31NO7Si2
Molecular Weight381.57 g/mol
Exact Mass381.16
IUPAC Name[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
SMILESCCO[Si](CCCN=C=O)(OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H31NO7Si2/c1-6-17-23(18-7-2,13-11-12-15-14-16)22-24(19-8-3,20-9-4)21-10-5/h6-13H2,1-5H3
InChIKeySEVZWXMDFNYKKZ-UHFFFAOYSA-N
XLogP2.29
TPSA84.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate?
The IUPAC name of [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate (CID 87101175) is [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate.
What is the SMILES notation for [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate?
The canonical SMILES for [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate is CCO[Si](CCCN=C=O)(OCC)O[Si](OCC)(OCC)OCC.
What is the InChIKey of [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate?
The InChIKey is SEVZWXMDFNYKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO7Si2/c1-6-17-23(18-7-2,13-11-12-15-14-16)22-24(19-8-3,20-9-4)21-10-5/h6-13H2,1-5H3.
What are the key properties of [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate?
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate has a molecular weight of 381.57 g/mol, XLogP of 2.29, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(3-isocyanatopropyl)silyl] triethyl silicate is sourced from PubChem (CID 87101175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).