1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate

C8H14O4Si — CID 123152315

IUPAC1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate
SMILESCOC(=O)/C=C/C(=O)O[SiH2]C(C)C
InChIInChI=1S/C8H14O4Si/c1-6(2)13-12-8(10)5-4-7(9)11-3/h4-6H,13H2,1-3H3/b5-4+
InChIKeyDJPCUVLFJWQJTC-SNAWJCMRSA-N
MW202.28 g/mol
LogP0.17
Rot. Bonds4

About 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate

1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate (PubChem CID 123152315) has the molecular formula C8H14O4Si and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate
PubChem CID123152315
Molecular FormulaC8H14O4Si
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate
SMILESCOC(=O)/C=C/C(=O)O[SiH2]C(C)C
InChIInChI=1S/C8H14O4Si/c1-6(2)13-12-8(10)5-4-7(9)11-3/h4-6H,13H2,1-3H3/b5-4+
InChIKeyDJPCUVLFJWQJTC-SNAWJCMRSA-N
XLogP0.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate 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
methyl (E)-5-methyl-4-oxohex-2-enoate
CID 11084121
methyl (E)-4-(2-methylpropylamino)-4-oxobut-2-enoate
CID 44603263
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
methane;methyl (Z)-4-(methylamino)-4-oxobut-2-enoate
CID 162090264
4-O-butylsilyl 1-O-methyl (E)-but-2-enedioate
CID 173066983
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 174783551
methyl (E)-4-chloro-4-oxobut-2-enoate
CID 6536970
methyl 4-bromopent-2-enoate
CID 54128087
methyl (4S)-4-aminopent-2-enoate
CID 91583994
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
dimethyl octa-2,4,6-trienedioate
CID 5250542

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate?
The IUPAC name of 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate (CID 123152315) is 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate.
What is the SMILES notation for 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate?
The canonical SMILES for 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate is COC(=O)/C=C/C(=O)O[SiH2]C(C)C.
What is the InChIKey of 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate?
The InChIKey is DJPCUVLFJWQJTC-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14O4Si/c1-6(2)13-12-8(10)5-4-7(9)11-3/h4-6H,13H2,1-3H3/b5-4+.
What are the key properties of 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate?
1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate has a molecular weight of 202.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-propan-2-ylsilyl (E)-but-2-enedioate is sourced from PubChem (CID 123152315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).