triethoxy(1-isocyanatohexan-3-yl)silane

C13H27NO4Si — CID 155699226

IUPACtriethoxy(1-isocyanatohexan-3-yl)silane
SMILESCCCC(CCN=C=O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H27NO4Si/c1-5-9-13(10-11-14-12-15)19(16-6-2,17-7-3)18-8-4/h13H,5-11H2,1-4H3
InChIKeyNTVSWRCHTVUWBL-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.93
Rot. Bonds12

About triethoxy(1-isocyanatohexan-3-yl)silane

triethoxy(1-isocyanatohexan-3-yl)silane (PubChem CID 155699226) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is triethoxy(1-isocyanatohexan-3-yl)silane.

Molecular Properties

Compound Nametriethoxy(1-isocyanatohexan-3-yl)silane
PubChem CID155699226
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Nametriethoxy(1-isocyanatohexan-3-yl)silane
SMILESCCCC(CCN=C=O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H27NO4Si/c1-5-9-13(10-11-14-12-15)19(16-6-2,17-7-3)18-8-4/h13H,5-11H2,1-4H3
InChIKeyNTVSWRCHTVUWBL-UHFFFAOYSA-N
XLogP2.93
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
3-ethyl-1,5-diisocyanatopentane
CID 18990756
ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836
diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane
CID 175410263
acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
CID 18620385
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552

Frequently Asked Questions

What is the IUPAC name of triethoxy(1-isocyanatohexan-3-yl)silane?
The IUPAC name of triethoxy(1-isocyanatohexan-3-yl)silane (CID 155699226) is triethoxy(1-isocyanatohexan-3-yl)silane.
What is the SMILES notation for triethoxy(1-isocyanatohexan-3-yl)silane?
The canonical SMILES for triethoxy(1-isocyanatohexan-3-yl)silane is CCCC(CCN=C=O)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(1-isocyanatohexan-3-yl)silane?
The InChIKey is NTVSWRCHTVUWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-5-9-13(10-11-14-12-15)19(16-6-2,17-7-3)18-8-4/h13H,5-11H2,1-4H3.
What are the key properties of triethoxy(1-isocyanatohexan-3-yl)silane?
triethoxy(1-isocyanatohexan-3-yl)silane has a molecular weight of 289.45 g/mol, XLogP of 2.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1-isocyanatohexan-3-yl)silane is sourced from PubChem (CID 155699226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).