methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate

C12H24O2Si — CID 102509976

IUPACmethyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate
SMILESCCCC/C(C(=O)OC)=C(\C)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-9-11(12(13)14-3)10(2)15(4,5)6/h7-9H2,1-6H3/b11-10-
InChIKeyBHLXCRMKZRCPJS-KHPPLWFESA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds5

About methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate

methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate (PubChem CID 102509976) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate
PubChem CID102509976
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namemethyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate
SMILESCCCC/C(C(=O)OC)=C(\C)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-9-11(12(13)14-3)10(2)15(4,5)6/h7-9H2,1-6H3/b11-10-
InChIKeyBHLXCRMKZRCPJS-KHPPLWFESA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate?
The IUPAC name of methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate (CID 102509976) is methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate.
What is the SMILES notation for methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate?
The canonical SMILES for methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate is CCCC/C(C(=O)OC)=C(\C)[Si](C)(C)C.
What is the InChIKey of methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate?
The InChIKey is BHLXCRMKZRCPJS-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-9-11(12(13)14-3)10(2)15(4,5)6/h7-9H2,1-6H3/b11-10-.
What are the key properties of methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate?
methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate has a molecular weight of 228.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(1-trimethylsilylethylidene)hexanoate is sourced from PubChem (CID 102509976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).