dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate

C17H30O5Si — CID 10893267

IUPACdimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate
SMILESC=C(/C=C\CO[Si](C)(C)C(C)(C)C)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H30O5Si/c1-13(12-14(15(18)20-5)16(19)21-6)10-9-11-22-23(7,8)17(2,3)4/h9-10,14H,1,11-12H2,2-8H3/b10-9-
InChIKeyBUXUJKMEMARJBP-KTKRTIGZSA-N
MW342.51 g/mol
LogP3.47
Rot. Bonds8

About dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate

dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate (PubChem CID 10893267) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate
PubChem CID10893267
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Namedimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate
SMILESC=C(/C=C\CO[Si](C)(C)C(C)(C)C)CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H30O5Si/c1-13(12-14(15(18)20-5)16(19)21-6)10-9-11-22-23(7,8)17(2,3)4/h9-10,14H,1,11-12H2,2-8H3/b10-9-
InChIKeyBUXUJKMEMARJBP-KTKRTIGZSA-N
XLogP3.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
methyl (3S,4Z,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,2,4-trimethylhepta-4,6-dienoate
CID 134980711
dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
CID 14021593
Dimethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
CID 57130810
dimethyl 2-[(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]propanedioate
CID 10854670
dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate
CID 11164589
methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate
CID 11233114
methyl (E,2R,3S,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-6-methylideneoct-4-enoate
CID 11690798
methyl (E,2S,3R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-methylidene-9-oxo-3-triethylsilyloxynon-4-enoate
CID 11719757
diethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 11742318
Diethyl 2-[3-(trimethylsilyl)-2,4-cyclohexadien-1-yl]malonate
CID 13271368
diethyl 2-[(1S)-3-trimethylsilylcyclohexa-2,4-dien-1-yl]propanedioate
CID 13271371

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate (CID 10893267) is dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate is C=C(/C=C\CO[Si](C)(C)C(C)(C)C)CC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate?
The InChIKey is BUXUJKMEMARJBP-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-13(12-14(15(18)20-5)16(19)21-6)10-9-11-22-23(7,8)17(2,3)4/h9-10,14H,1,11-12H2,2-8H3/b10-9-.
What are the key properties of dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate?
dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate has a molecular weight of 342.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate is sourced from PubChem (CID 10893267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).