butyl-(3-isocyanatopropyl)-dimethoxysilane

C10H21NO3Si — CID 140798796

IUPACbutyl-(3-isocyanatopropyl)-dimethoxysilane
SMILESCCCC[Si](CCCN=C=O)(OC)OC
InChIInChI=1S/C10H21NO3Si/c1-4-5-8-15(13-2,14-3)9-6-7-11-10-12/h4-9H2,1-3H3
InChIKeyOSMGULYKITXIPM-UHFFFAOYSA-N
MW231.37 g/mol
LogP2.25
Rot. Bonds9

About butyl-(3-isocyanatopropyl)-dimethoxysilane

butyl-(3-isocyanatopropyl)-dimethoxysilane (PubChem CID 140798796) has the molecular formula C10H21NO3Si and a molecular weight of 231.37 g/mol. Its IUPAC name is butyl-(3-isocyanatopropyl)-dimethoxysilane.

Molecular Properties

Compound Namebutyl-(3-isocyanatopropyl)-dimethoxysilane
PubChem CID140798796
Molecular FormulaC10H21NO3Si
Molecular Weight231.37 g/mol
Exact Mass231.13
IUPAC Namebutyl-(3-isocyanatopropyl)-dimethoxysilane
SMILESCCCC[Si](CCCN=C=O)(OC)OC
InChIInChI=1S/C10H21NO3Si/c1-4-5-8-15(13-2,14-3)9-6-7-11-10-12/h4-9H2,1-3H3
InChIKeyOSMGULYKITXIPM-UHFFFAOYSA-N
XLogP2.25
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane
CID 90222550
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
16-isocyanatohexadecyl(trimethoxy)silane
CID 87683661
butyl-decyl-dimethoxysilane
CID 141135588
butyl-dimethoxy-tetradecylsilane
CID 139614249
1-isocyanatodotriacontane
CID 87857577
dimethoxy-octyl-pentylsilane
CID 139614094
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-nonadecyl-pentadecylsilane
CID 139614324
heptyl-dimethoxy-undecylsilane
CID 139614038
hexadecyl-icosyl-dimethoxysilane
CID 139614225
dimethoxy-pentadecyl-undecylsilane
CID 139614261

Frequently Asked Questions

What is the IUPAC name of butyl-(3-isocyanatopropyl)-dimethoxysilane?
The IUPAC name of butyl-(3-isocyanatopropyl)-dimethoxysilane (CID 140798796) is butyl-(3-isocyanatopropyl)-dimethoxysilane.
What is the SMILES notation for butyl-(3-isocyanatopropyl)-dimethoxysilane?
The canonical SMILES for butyl-(3-isocyanatopropyl)-dimethoxysilane is CCCC[Si](CCCN=C=O)(OC)OC.
What is the InChIKey of butyl-(3-isocyanatopropyl)-dimethoxysilane?
The InChIKey is OSMGULYKITXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3Si/c1-4-5-8-15(13-2,14-3)9-6-7-11-10-12/h4-9H2,1-3H3.
What are the key properties of butyl-(3-isocyanatopropyl)-dimethoxysilane?
butyl-(3-isocyanatopropyl)-dimethoxysilane has a molecular weight of 231.37 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3-isocyanatopropyl)-dimethoxysilane is sourced from PubChem (CID 140798796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).