3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane

C11H19NO3Si — CID 15606908

IUPAC3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane
SMILESC=C(C)O[Si](C)(CCCN=C=O)OC(=C)C
InChIInChI=1S/C11H19NO3Si/c1-10(2)14-16(5,15-11(3)4)8-6-7-12-9-13/h1,3,6-8H2,2,4-5H3
InChIKeyRMNILGZIIADGOO-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.88
Rot. Bonds8

About 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane

3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane (PubChem CID 15606908) has the molecular formula C11H19NO3Si and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane.

Molecular Properties

Compound Name3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane
PubChem CID15606908
Molecular FormulaC11H19NO3Si
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane
SMILESC=C(C)O[Si](C)(CCCN=C=O)OC(=C)C
InChIInChI=1S/C11H19NO3Si/c1-10(2)14-16(5,15-11(3)4)8-6-7-12-9-13/h1,3,6-8H2,2,4-5H3
InChIKeyRMNILGZIIADGOO-UHFFFAOYSA-N
XLogP2.88
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

3-isocyanatopropyl-methyl-di(propan-2-yloxy)silane
CID 87211201
8-isocyanatooctyl-dimethoxy-methylsilane
CID 141485857
3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 101056715
N-[4-[3-isocyanatopropyl(dimethyl)silyl]oxybutyl]acetamide
CID 88535347
methyl [3-isocyanatopropyl-bis(methoxycarbonyl)silyl]formate
CID 175540024
butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane
CID 90222550
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278
6-isocyanato-2-methylhex-1-en-3-one
CID 23105048
N-(4-isocyanatobutyl)-2-methylprop-2-enamide
CID 87112156
butyl-(3-isocyanatopropyl)-dimethoxysilane
CID 140798796
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
5-isocyanato-2-methylpent-1-en-3-ol
CID 87975302

Frequently Asked Questions

What is the IUPAC name of 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane?
The IUPAC name of 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane (CID 15606908) is 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane.
What is the SMILES notation for 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane?
The canonical SMILES for 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane is C=C(C)O[Si](C)(CCCN=C=O)OC(=C)C.
What is the InChIKey of 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane?
The InChIKey is RMNILGZIIADGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3Si/c1-10(2)14-16(5,15-11(3)4)8-6-7-12-9-13/h1,3,6-8H2,2,4-5H3.
What are the key properties of 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane?
3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane has a molecular weight of 241.36 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane is sourced from PubChem (CID 15606908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).