methyl (Z)-2-trimethylsilylhept-2-enoate

C11H22O2Si — CID 12715300

IUPACmethyl (Z)-2-trimethylsilylhept-2-enoate
SMILESCCCC/C=C(/C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-8-9-10(11(12)13-2)14(3,4)5/h9H,6-8H2,1-5H3/b10-9-
InChIKeyWGQYBILWWSCPBQ-KTKRTIGZSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds5

About methyl (Z)-2-trimethylsilylhept-2-enoate

methyl (Z)-2-trimethylsilylhept-2-enoate (PubChem CID 12715300) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is methyl (Z)-2-trimethylsilylhept-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-trimethylsilylhept-2-enoate
PubChem CID12715300
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Namemethyl (Z)-2-trimethylsilylhept-2-enoate
SMILESCCCC/C=C(/C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-8-9-10(11(12)13-2)14(3,4)5/h9H,6-8H2,1-5H3/b10-9-
InChIKeyWGQYBILWWSCPBQ-KTKRTIGZSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-2-trimethylsilylhept-2-enoate?
The IUPAC name of methyl (Z)-2-trimethylsilylhept-2-enoate (CID 12715300) is methyl (Z)-2-trimethylsilylhept-2-enoate.
What is the SMILES notation for methyl (Z)-2-trimethylsilylhept-2-enoate?
The canonical SMILES for methyl (Z)-2-trimethylsilylhept-2-enoate is CCCC/C=C(/C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-2-trimethylsilylhept-2-enoate?
The InChIKey is WGQYBILWWSCPBQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-7-8-9-10(11(12)13-2)14(3,4)5/h9H,6-8H2,1-5H3/b10-9-.
What are the key properties of methyl (Z)-2-trimethylsilylhept-2-enoate?
methyl (Z)-2-trimethylsilylhept-2-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-trimethylsilylhept-2-enoate is sourced from PubChem (CID 12715300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).