1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate

C12H22O4Si — CID 134988018

IUPAC1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate
SMILESCCOC(=O)/C=C(/CCC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-6-16-12(14)9-10(17(3,4)5)7-8-11(13)15-2/h9H,6-8H2,1-5H3/b10-9-
InChIKeyQOGVMXYXPOFLME-KTKRTIGZSA-N
MW258.39 g/mol
LogP2.31
Rot. Bonds6

About 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate

1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate (PubChem CID 134988018) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate.

Molecular Properties

Compound Name1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate
PubChem CID134988018
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate
SMILESCCOC(=O)/C=C(/CCC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-6-16-12(14)9-10(17(3,4)5)7-8-11(13)15-2/h9H,6-8H2,1-5H3/b10-9-
InChIKeyQOGVMXYXPOFLME-KTKRTIGZSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate?
The IUPAC name of 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate (CID 134988018) is 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate.
What is the SMILES notation for 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate?
The canonical SMILES for 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate is CCOC(=O)/C=C(/CCC(=O)OC)[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate?
The InChIKey is QOGVMXYXPOFLME-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-6-16-12(14)9-10(17(3,4)5)7-8-11(13)15-2/h9H,6-8H2,1-5H3/b10-9-.
What are the key properties of 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate?
1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate has a molecular weight of 258.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate is sourced from PubChem (CID 134988018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).