dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate

C11H20O5Si — CID 5366559

IUPACdimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate
SMILESCOC(=O)/C=C(/CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O5Si/c1-14-10(12)7-6-9(8-11(13)15-2)16-17(3,4)5/h8H,6-7H2,1-5H3/b9-8-
InChIKeyONRPHJVSSISZSA-HJWRWDBZSA-N
MW260.36 g/mol
LogP1.85
Rot. Bonds6

About dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate

dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate (PubChem CID 5366559) has the molecular formula C11H20O5Si and a molecular weight of 260.36 g/mol. Its IUPAC name is dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate
PubChem CID5366559
Molecular FormulaC11H20O5Si
Molecular Weight260.36 g/mol
Exact Mass260.11
IUPAC Namedimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate
SMILESCOC(=O)/C=C(/CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O5Si/c1-14-10(12)7-6-9(8-11(13)15-2)16-17(3,4)5/h8H,6-7H2,1-5H3/b9-8-
InChIKeyONRPHJVSSISZSA-HJWRWDBZSA-N
XLogP1.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bis(trimethylsilyl)-3-[(trimethylsilyl)oxy]hex-2-enedioate
CID 6421159
methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate
CID 134895730
6-O-butyl 1-O-ethyl (Z)-3-trimethylsilylhex-2-enedioate
CID 134916338
1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate
CID 134988018
dimethyl (Z)-3-trimethylsilylhex-2-enedioate
CID 134988334
Succinylacetone, TMS
CID 91749620
Dimethyl 3-trimethylsilyloxyhept-2-enedioate
CID 5366490
Dimethyl 3-trimethylsilyloxyoct-2-enedioate
CID 5366491
4,6-Diketooctanoic acid,O,O'-bis(trimethylsilyl)
CID 5366647
Dimethyl 3,3-dimethoxy-5-trimethylsilyloxycyclohexa-1,4-diene-1,2-dicarboxylate
CID 173650395
CID 552888
CID 552888
ethyl (Z)-3-trimethylsilyloxyhex-2-enoate
CID 11117875

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate?
The IUPAC name of dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate (CID 5366559) is dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate.
What is the SMILES notation for dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate?
The canonical SMILES for dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate is COC(=O)/C=C(/CCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate?
The InChIKey is ONRPHJVSSISZSA-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20O5Si/c1-14-10(12)7-6-9(8-11(13)15-2)16-17(3,4)5/h8H,6-7H2,1-5H3/b9-8-.
What are the key properties of dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate?
dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate has a molecular weight of 260.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-3-trimethylsilyloxyhex-2-enedioate is sourced from PubChem (CID 5366559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).