methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate

C12H22O2Si — CID 553446

IUPACmethyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate
SMILESC=C(C(=C)[Si](C)(C)C)C(C)CC(=O)OC
InChIInChI=1S/C12H22O2Si/c1-9(8-12(13)14-4)10(2)11(3)15(5,6)7/h9H,2-3,8H2,1,4-7H3
InChIKeyRLCLSFQSUVQZFV-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.18
Rot. Bonds5

About methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate

methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate (PubChem CID 553446) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate
PubChem CID553446
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namemethyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate
SMILESC=C(C(=C)[Si](C)(C)C)C(C)CC(=O)OC
InChIInChI=1S/C12H22O2Si/c1-9(8-12(13)14-4)10(2)11(3)15(5,6)7/h9H,2-3,8H2,1,4-7H3
InChIKeyRLCLSFQSUVQZFV-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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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Related Compounds

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
methyl (1R,2S,3R)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11009266
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
cis-methyl (1R,2S)-2-methyl-3-(2-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 135036885
Cyclopentanecarboxylic acid, 3-(trimethylsilylmethylene)-, methyl ester
CID 5366900
Methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
methyl (3Z)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 13928497
Methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate
CID 14569485
Methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate
CID 14569486
methyl (1S,2R,3S)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101998520
3-Trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
CID 91593558
Ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 102123937

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate?
The IUPAC name of methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate (CID 553446) is methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate.
What is the SMILES notation for methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate?
The canonical SMILES for methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate is C=C(C(=C)[Si](C)(C)C)C(C)CC(=O)OC.
What is the InChIKey of methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate?
The InChIKey is RLCLSFQSUVQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9(8-12(13)14-4)10(2)11(3)15(5,6)7/h9H,2-3,8H2,1,4-7H3.
What are the key properties of methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate?
methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate has a molecular weight of 226.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-methylidene-5-trimethylsilylhex-5-enoate is sourced from PubChem (CID 553446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).