dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate

C19H32O7Si — CID 11069411

IUPACdimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
SMILESC=C(CC(C/C=C\COC(=O)OCC)(C(=O)OC)C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C19H32O7Si/c1-8-25-18(22)26-12-10-9-11-19(16(20)23-3,17(21)24-4)13-15(2)14-27(5,6)7/h9-10H,2,8,11-14H2,1,3-7H3/b10-9-
InChIKeyXTPCIWFKEXCTHI-KTKRTIGZSA-N
MW400.54 g/mol
LogP3.72
Rot. Bonds11

About dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate

dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate (PubChem CID 11069411) has the molecular formula C19H32O7Si and a molecular weight of 400.54 g/mol. Its IUPAC name is dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
PubChem CID11069411
Molecular FormulaC19H32O7Si
Molecular Weight400.54 g/mol
Exact Mass400.19
IUPAC Namedimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
SMILESC=C(CC(C/C=C\COC(=O)OCC)(C(=O)OC)C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C19H32O7Si/c1-8-25-18(22)26-12-10-9-11-19(16(20)23-3,17(21)24-4)13-15(2)14-27(5,6)7/h9-10H,2,8,11-14H2,1,3-7H3/b10-9-
InChIKeyXTPCIWFKEXCTHI-KTKRTIGZSA-N
XLogP3.72
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate with MolForge

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Related Compounds

dimethyl 2-[(E)-4-ethoxycarbonyloxy-3-methylbut-2-enyl]-2-(3-tributylstannylbut-3-enyl)propanedioate
CID 10627796
dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate
CID 10854818
dimethyl 2-[(E)-4-methoxycarbonyloxybut-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
CID 11056118
ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 11502268
ethyl (E)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 12167546
dimethyl 2-[(E,4R)-4-acetyloxy-4-[tert-butyl(dimethyl)silyl]but-2-enyl]-2-but-3-enylpropanedioate
CID 102076883
dimethyl 2-[(E,4R)-4-acetyloxy-4-[tert-butyl(dimethyl)silyl]but-2-enyl]-2-pent-4-enylpropanedioate
CID 102076884
dimethyl 2-[(E,4R)-4-acetyloxy-4-[tert-butyl(dimethyl)silyl]but-2-enyl]-2-prop-2-enylpropanedioate
CID 102386718
dimethyl 2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylundeca-2,6,10-trienyl]-2-(4-methylpent-3-enyl)propanedioate
CID 122233930
dimethyl 2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylundeca-2,6,10-trienyl]-2-[(E)-4-methylhex-3-enyl]propanedioate
CID 122233931
dimethyl 2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylundeca-2,6,10-trienyl]-2-[(E)-4,5-dimethylhex-3-enyl]propanedioate
CID 122233932
dimethyl 2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylundeca-2,6,10-trienyl]-2-[(E)-4,5,5-trimethylhex-3-enyl]propanedioate
CID 122233933

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate (CID 11069411) is dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate is C=C(CC(C/C=C\COC(=O)OCC)(C(=O)OC)C(=O)OC)C[Si](C)(C)C.
What is the InChIKey of dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The InChIKey is XTPCIWFKEXCTHI-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H32O7Si/c1-8-25-18(22)26-12-10-9-11-19(16(20)23-3,17(21)24-4)13-15(2)14-27(5,6)7/h9-10H,2,8,11-14H2,1,3-7H3/b10-9-.
What are the key properties of dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate has a molecular weight of 400.54 g/mol, XLogP of 3.72, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-4-ethoxycarbonyloxybut-2-enyl]-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate is sourced from PubChem (CID 11069411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).