3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane

C13H28O4Si — CID 87106827

IUPAC3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
SMILESC/C=C(/C)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O4Si/c1-6-13(5)14-11-10-12-18(15-7-2,16-8-3)17-9-4/h6H,7-12H2,1-5H3/b13-6-
InChIKeyDTCIEZNKJQAUJD-MLPAPPSSSA-N
MW276.45 g/mol
LogP3.37
Rot. Bonds11

About 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane

3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane (PubChem CID 87106827) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
PubChem CID87106827
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
SMILESC/C=C(/C)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O4Si/c1-6-13(5)14-11-10-12-18(15-7-2,16-8-3)17-9-4/h6H,7-12H2,1-5H3/b13-6-
InChIKeyDTCIEZNKJQAUJD-MLPAPPSSSA-N
XLogP3.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.37
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'}

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Related Compounds

bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy(3-methoxypropyl)silane
CID 22712922
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
4-triethoxysilylbutyl propanoate
CID 141347796
O-(3-triethoxysilylpropyl) octadecanethioate
CID 87778386
36-triethoxysilylhexatriacontan-1-amine
CID 87683625

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane (CID 87106827) is 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane is C/C=C(/C)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane?
The InChIKey is DTCIEZNKJQAUJD-MLPAPPSSSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-6-13(5)14-11-10-12-18(15-7-2,16-8-3)17-9-4/h6H,7-12H2,1-5H3/b13-6-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane?
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane has a molecular weight of 276.45 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane is sourced from PubChem (CID 87106827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).