1,2,3-triethoxybut-1-enylsilane

C10H22O3Si — CID 173068771

IUPAC1,2,3-triethoxybut-1-enylsilane
SMILESCCOC([SiH3])=C(OCC)C(C)OCC
InChIInChI=1S/C10H22O3Si/c1-5-11-8(4)9(12-6-2)10(14)13-7-3/h8H,5-7H2,1-4,14H3
InChIKeyASOPRVWIDYVFKR-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.02
Rot. Bonds7

About 1,2,3-triethoxybut-1-enylsilane

1,2,3-triethoxybut-1-enylsilane (PubChem CID 173068771) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 1,2,3-triethoxybut-1-enylsilane.

Molecular Properties

Compound Name1,2,3-triethoxybut-1-enylsilane
PubChem CID173068771
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name1,2,3-triethoxybut-1-enylsilane
SMILESCCOC([SiH3])=C(OCC)C(C)OCC
InChIInChI=1S/C10H22O3Si/c1-5-11-8(4)9(12-6-2)10(14)13-7-3/h8H,5-7H2,1-4,14H3
InChIKeyASOPRVWIDYVFKR-UHFFFAOYSA-N
XLogP1.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3-tetraethoxybut-1-ene
CID 163217034
diethyl 2-(2-ethoxypropanoyl)propanedioate
CID 64532812
amino 2-ethoxypropanoate
CID 87914402
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884
CID 21266963
CID 21266963
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
2-ethoxypropanoic acid;methane
CID 160636954
cyclopentyl 2-ethoxypropanoate
CID 173270406
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
ethanamine;1-ethoxyethanol
CID 20501270
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethoxybut-1-enylsilane?
The IUPAC name of 1,2,3-triethoxybut-1-enylsilane (CID 173068771) is 1,2,3-triethoxybut-1-enylsilane.
What is the SMILES notation for 1,2,3-triethoxybut-1-enylsilane?
The canonical SMILES for 1,2,3-triethoxybut-1-enylsilane is CCOC([SiH3])=C(OCC)C(C)OCC.
What is the InChIKey of 1,2,3-triethoxybut-1-enylsilane?
The InChIKey is ASOPRVWIDYVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-11-8(4)9(12-6-2)10(14)13-7-3/h8H,5-7H2,1-4,14H3.
What are the key properties of 1,2,3-triethoxybut-1-enylsilane?
1,2,3-triethoxybut-1-enylsilane has a molecular weight of 218.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethoxybut-1-enylsilane is sourced from PubChem (CID 173068771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).