ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane

C13H26O6Si — CID 149435766

IUPACethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane
SMILESC=CC(O[Si](C=C)(OCC)OCC)C(OC)(OC)OC
InChIInChI=1S/C13H26O6Si/c1-8-12(13(14-5,15-6)16-7)19-20(11-4,17-9-2)18-10-3/h8,11-12H,1,4,9-10H2,2-3,5-7H3
InChIKeyKVKQCXQAABXCHF-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.89
Rot. Bonds12

About ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane

ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane (PubChem CID 149435766) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane.

Molecular Properties

Compound Nameethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane
PubChem CID149435766
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Nameethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane
SMILESC=CC(O[Si](C=C)(OCC)OCC)C(OC)(OC)OC
InChIInChI=1S/C13H26O6Si/c1-8-12(13(14-5,15-6)16-7)19-20(11-4,17-9-2)18-10-3/h8,11-12H,1,4,9-10H2,2-3,5-7H3
InChIKeyKVKQCXQAABXCHF-UHFFFAOYSA-N
XLogP1.89
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 101036593
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
CID 57259853
CID 57259853
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 58405981
Tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
1,1,1-Triethoxybut-3-en-2-yloxysilane
CID 123147680
1,1,1-Trimethoxybut-3-en-2-yloxysilane
CID 123847608
4,4-Dimethoxyhepta-1,6-dien-3-yloxy-ethenyl-ethoxy-(2,2,2-trimethoxyethoxy)silane
CID 149615634
Ethenyl-diethoxy-[1,1,1-tri(propan-2-yloxy)but-3-en-2-yloxy]silane
CID 150670600
1,1-Dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 151169644
CID 155616762
CID 155616762
Ethenyl-dimethyl-[1,1,1-tri(propan-2-yloxy)but-3-en-2-yloxy]silane
CID 172679192

Frequently Asked Questions

What is the IUPAC name of ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane?
The IUPAC name of ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane (CID 149435766) is ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane.
What is the SMILES notation for ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane?
The canonical SMILES for ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane is C=CC(O[Si](C=C)(OCC)OCC)C(OC)(OC)OC.
What is the InChIKey of ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane?
The InChIKey is KVKQCXQAABXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-8-12(13(14-5,15-6)16-7)19-20(11-4,17-9-2)18-10-3/h8,11-12H,1,4,9-10H2,2-3,5-7H3.
What are the key properties of ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane?
ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane has a molecular weight of 306.43 g/mol, XLogP of 1.89, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane is sourced from PubChem (CID 149435766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).