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

C12H22O2Si — CID 14569485

IUPACmethyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate
SMILESC=CC(=C)CC(C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-8-10(2)9-12(3,11(13)14-4)15(5,6)7/h8H,1-2,9H2,3-7H3
InChIKeyFVTIAXWPYXGGQP-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.39
Rot. Bonds5

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

methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate (PubChem CID 14569485) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate
PubChem CID14569485
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namemethyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate
SMILESC=CC(=C)CC(C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-8-10(2)9-12(3,11(13)14-4)15(5,6)7/h8H,1-2,9H2,3-7H3
InChIKeyFVTIAXWPYXGGQP-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.39
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-methyl-4-methylidene-2-trimethylsilylhex-5-enoate?
The IUPAC name of methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate (CID 14569485) is methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate.
What is the SMILES notation for methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate?
The canonical SMILES for methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate is C=CC(=C)CC(C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate?
The InChIKey is FVTIAXWPYXGGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-8-10(2)9-12(3,11(13)14-4)15(5,6)7/h8H,1-2,9H2,3-7H3.
What are the key properties of methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate?
methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate has a molecular weight of 226.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate is sourced from PubChem (CID 14569485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).