dimethyl (Z)-but-2-enedioate;triethoxysilane

C12H24O7Si — CID 174885500

IUPACdimethyl (Z)-but-2-enedioate;triethoxysilane
SMILESCCO[SiH](OCC)OCC.COC(=O)/C=C\C(=O)OC
InChIInChI=1S/C6H8O4.C6H16O3Si/c1-9-5(7)3-4-6(8)10-2;1-4-7-10(8-5-2)9-6-3/h3-4H,1-2H3;10H,4-6H2,1-3H3/b4-3-;
InChIKeyOTEUVEBWAZQAJJ-LNKPDPKZSA-N
MW308.40 g/mol
LogP0.70
Rot. Bonds8

About dimethyl (Z)-but-2-enedioate;triethoxysilane

dimethyl (Z)-but-2-enedioate;triethoxysilane (PubChem CID 174885500) has the molecular formula C12H24O7Si and a molecular weight of 308.40 g/mol. Its IUPAC name is dimethyl (Z)-but-2-enedioate;triethoxysilane.

Molecular Properties

Compound Namedimethyl (Z)-but-2-enedioate;triethoxysilane
PubChem CID174885500
Molecular FormulaC12H24O7Si
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Namedimethyl (Z)-but-2-enedioate;triethoxysilane
SMILESCCO[SiH](OCC)OCC.COC(=O)/C=C\C(=O)OC
InChIInChI=1S/C6H8O4.C6H16O3Si/c1-9-5(7)3-4-6(8)10-2;1-4-7-10(8-5-2)9-6-3/h3-4H,1-2H3;10H,4-6H2,1-3H3/b4-3-;
InChIKeyOTEUVEBWAZQAJJ-LNKPDPKZSA-N
XLogP0.70
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dimethyl (Z)-but-2-enedioate;triethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 160615105
CID 160615105
dimethyl (Z)-but-2-enedioate;ethyl acetate
CID 174859797
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl] 1-O-methyl (Z)-but-2-enedioate
CID 87630975
5-O-ethyl 1-O-methyl 4-methylidenepent-2-enedioate
CID 173366689
N-methylmethanamine;triethoxysilane
CID 173126402
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methyl (E)-3-(ethoxyamino)prop-2-enoate
CID 103254517
1-O,1-O-diethyl 4-O-methyl (3E)-2-methylbuta-1,3-diene-1,1,4-tricarboxylate
CID 134993328
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
methyl (E)-4-chloro-4-oxobut-2-enoate
CID 6536970

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-but-2-enedioate;triethoxysilane?
The IUPAC name of dimethyl (Z)-but-2-enedioate;triethoxysilane (CID 174885500) is dimethyl (Z)-but-2-enedioate;triethoxysilane.
What is the SMILES notation for dimethyl (Z)-but-2-enedioate;triethoxysilane?
The canonical SMILES for dimethyl (Z)-but-2-enedioate;triethoxysilane is CCO[SiH](OCC)OCC.COC(=O)/C=C\C(=O)OC.
What is the InChIKey of dimethyl (Z)-but-2-enedioate;triethoxysilane?
The InChIKey is OTEUVEBWAZQAJJ-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H8O4.C6H16O3Si/c1-9-5(7)3-4-6(8)10-2;1-4-7-10(8-5-2)9-6-3/h3-4H,1-2H3;10H,4-6H2,1-3H3/b4-3-;.
What are the key properties of dimethyl (Z)-but-2-enedioate;triethoxysilane?
dimethyl (Z)-but-2-enedioate;triethoxysilane has a molecular weight of 308.40 g/mol, XLogP of 0.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-but-2-enedioate;triethoxysilane is sourced from PubChem (CID 174885500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).