(1-ethoxy-3-isocyanatopropyl)-dimethylsilane

C8H17NO2Si — CID 154163836

IUPAC(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
SMILESCCOC(CCN=C=O)[SiH](C)C
InChIInChI=1S/C8H17NO2Si/c1-4-11-8(12(2)3)5-6-9-7-10/h8,12H,4-6H2,1-3H3
InChIKeyJHAJEXGFEUMDOD-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.14
Rot. Bonds6

About (1-ethoxy-3-isocyanatopropyl)-dimethylsilane

(1-ethoxy-3-isocyanatopropyl)-dimethylsilane (PubChem CID 154163836) has the molecular formula C8H17NO2Si and a molecular weight of 187.31 g/mol. Its IUPAC name is (1-ethoxy-3-isocyanatopropyl)-dimethylsilane.

Molecular Properties

Compound Name(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
PubChem CID154163836
Molecular FormulaC8H17NO2Si
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
SMILESCCOC(CCN=C=O)[SiH](C)C
InChIInChI=1S/C8H17NO2Si/c1-4-11-8(12(2)3)5-6-9-7-10/h8,12H,4-6H2,1-3H3
InChIKeyJHAJEXGFEUMDOD-UHFFFAOYSA-N
XLogP1.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-ethyl-1,5-diisocyanatopentane
CID 18990756
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552
(1-chloro-4-isocyanatobutan-2-yl)-diethoxysilane
CID 151254324
[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 158917450
triethoxy(1-isocyanatohexan-3-yl)silane
CID 155699226
3,4-difluoro-1-isocyanatohexane
CID 151804401
diethoxy(7-isocyanatoheptan-2-yl)silane
CID 154084037
[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 159624155
1,3-diisocyanatobutane
CID 22019922
2-isocyanatoethoxy(dimethyl)silane
CID 123737598
ethyl (2S)-2,6-diisocyanatohexanoate
CID 71440643
ethyl 2,6-diisocyanatohexanoate
CID 10013919

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-isocyanatopropyl)-dimethylsilane?
The IUPAC name of (1-ethoxy-3-isocyanatopropyl)-dimethylsilane (CID 154163836) is (1-ethoxy-3-isocyanatopropyl)-dimethylsilane.
What is the SMILES notation for (1-ethoxy-3-isocyanatopropyl)-dimethylsilane?
The canonical SMILES for (1-ethoxy-3-isocyanatopropyl)-dimethylsilane is CCOC(CCN=C=O)[SiH](C)C.
What is the InChIKey of (1-ethoxy-3-isocyanatopropyl)-dimethylsilane?
The InChIKey is JHAJEXGFEUMDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2Si/c1-4-11-8(12(2)3)5-6-9-7-10/h8,12H,4-6H2,1-3H3.
What are the key properties of (1-ethoxy-3-isocyanatopropyl)-dimethylsilane?
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane has a molecular weight of 187.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-isocyanatopropyl)-dimethylsilane is sourced from PubChem (CID 154163836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).