(3-isocyanato-1,1,3-trimethoxypropyl)silane

C7H15NO4Si — CID 160733039

IUPAC(3-isocyanato-1,1,3-trimethoxypropyl)silane
SMILESCOC(CC([SiH3])(OC)OC)N=C=O
InChIInChI=1S/C7H15NO4Si/c1-10-6(8-5-9)4-7(13,11-2)12-3/h6H,4H2,1-3,13H3
InChIKeyRUPAEOZDYGXAJR-UHFFFAOYSA-N
MW205.29 g/mol
LogP-1.00
Rot. Bonds6

About (3-isocyanato-1,1,3-trimethoxypropyl)silane

(3-isocyanato-1,1,3-trimethoxypropyl)silane (PubChem CID 160733039) has the molecular formula C7H15NO4Si and a molecular weight of 205.29 g/mol. Its IUPAC name is (3-isocyanato-1,1,3-trimethoxypropyl)silane.

Molecular Properties

Compound Name(3-isocyanato-1,1,3-trimethoxypropyl)silane
PubChem CID160733039
Molecular FormulaC7H15NO4Si
Molecular Weight205.29 g/mol
Exact Mass205.08
IUPAC Name(3-isocyanato-1,1,3-trimethoxypropyl)silane
SMILESCOC(CC([SiH3])(OC)OC)N=C=O
InChIInChI=1S/C7H15NO4Si/c1-10-6(8-5-9)4-7(13,11-2)12-3/h6H,4H2,1-3,13H3
InChIKeyRUPAEOZDYGXAJR-UHFFFAOYSA-N
XLogP-1.00
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethoxy-3-silylpropan-1-amine
CID 152732178
1-isocyanatopropoxysilane
CID 173169842
1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine
CID 172996453
(3,4,4-trifluoro-1,1-dimethoxybutyl)silane
CID 173091582
1-isocyanatobutoxy(dimethyl)silane
CID 173012151
1-ethoxy-1-isocyanatopentane
CID 155127899
1,1,1,4-tetrafluoro-3-isocyanato-4-methylpentane
CID 84775073
(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane
CID 173052095
2-isocyanato-3-methylpentane
CID 63109842
(2S,3S)-2-isocyanato-3-methylpentane
CID 95014485
(2R)-2-isocyanato-4,4-dimethylpentanoic acid
CID 87772661
1-isocyanatoethyl(trimethoxy)silane
CID 22238674

Frequently Asked Questions

What is the IUPAC name of (3-isocyanato-1,1,3-trimethoxypropyl)silane?
The IUPAC name of (3-isocyanato-1,1,3-trimethoxypropyl)silane (CID 160733039) is (3-isocyanato-1,1,3-trimethoxypropyl)silane.
What is the SMILES notation for (3-isocyanato-1,1,3-trimethoxypropyl)silane?
The canonical SMILES for (3-isocyanato-1,1,3-trimethoxypropyl)silane is COC(CC([SiH3])(OC)OC)N=C=O.
What is the InChIKey of (3-isocyanato-1,1,3-trimethoxypropyl)silane?
The InChIKey is RUPAEOZDYGXAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4Si/c1-10-6(8-5-9)4-7(13,11-2)12-3/h6H,4H2,1-3,13H3.
What are the key properties of (3-isocyanato-1,1,3-trimethoxypropyl)silane?
(3-isocyanato-1,1,3-trimethoxypropyl)silane has a molecular weight of 205.29 g/mol, XLogP of -1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isocyanato-1,1,3-trimethoxypropyl)silane is sourced from PubChem (CID 160733039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).