trimethylsilyl 2-methylhept-5-enoate

C11H22O2Si — CID 141113930

IUPACtrimethylsilyl 2-methylhept-5-enoate
SMILESCC=CCCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-8-9-10(2)11(12)13-14(3,4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyMGQLKONDOWQGIC-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.36
Rot. Bonds5

About trimethylsilyl 2-methylhept-5-enoate

trimethylsilyl 2-methylhept-5-enoate (PubChem CID 141113930) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trimethylsilyl 2-methylhept-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylhept-5-enoate
PubChem CID141113930
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrimethylsilyl 2-methylhept-5-enoate
SMILESCC=CCCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-8-9-10(2)11(12)13-14(3,4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyMGQLKONDOWQGIC-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methylhept-5-enoate?
The IUPAC name of trimethylsilyl 2-methylhept-5-enoate (CID 141113930) is trimethylsilyl 2-methylhept-5-enoate.
What is the SMILES notation for trimethylsilyl 2-methylhept-5-enoate?
The canonical SMILES for trimethylsilyl 2-methylhept-5-enoate is CC=CCCC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylhept-5-enoate?
The InChIKey is MGQLKONDOWQGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-7-8-9-10(2)11(12)13-14(3,4)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of trimethylsilyl 2-methylhept-5-enoate?
trimethylsilyl 2-methylhept-5-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylhept-5-enoate is sourced from PubChem (CID 141113930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).