methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate

C13H24O2Si — CID 14569486

IUPACmethyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate
SMILESC=CC(=C)CC(CC)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-8-11(3)10-13(9-2,12(14)15-4)16(5,6)7/h8H,1,3,9-10H2,2,4-7H3
InChIKeyWTZFEOXOAYEQDM-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.78
Rot. Bonds6

About methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate

methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate (PubChem CID 14569486) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate
PubChem CID14569486
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namemethyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate
SMILESC=CC(=C)CC(CC)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-8-11(3)10-13(9-2,12(14)15-4)16(5,6)7/h8H,1,3,9-10H2,2,4-7H3
InChIKeyWTZFEOXOAYEQDM-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate?
The IUPAC name of methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate (CID 14569486) is methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate.
What is the SMILES notation for methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate?
The canonical SMILES for methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate is C=CC(=C)CC(CC)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate?
The InChIKey is WTZFEOXOAYEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-8-11(3)10-13(9-2,12(14)15-4)16(5,6)7/h8H,1,3,9-10H2,2,4-7H3.
What are the key properties of methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate?
methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate has a molecular weight of 240.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate is sourced from PubChem (CID 14569486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).