methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate

C19H36O2Si — CID 102203795

IUPACmethyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
SMILESC=CCCCCCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-9-10-11-12-13-14-15-16-17(2)18(19(20)21-3)22(4,5)6/h7,16,18H,1,8-15H2,2-6H3/b17-16-
InChIKeyVVJYGJMGHSWCLF-MSUUIHNZSA-N
MW324.58 g/mol
LogP6.12
Rot. Bonds12

About methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate

methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate (PubChem CID 102203795) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate.

Molecular Properties

Compound Namemethyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
PubChem CID102203795
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Namemethyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
SMILESC=CCCCCCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-9-10-11-12-13-14-15-16-17(2)18(19(20)21-3)22(4,5)6/h7,16,18H,1,8-15H2,2-6H3/b17-16-
InChIKeyVVJYGJMGHSWCLF-MSUUIHNZSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.12
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-5,8,11-Eicosatrienoic acid, tert-butyldimethylsilyl ester
CID 91697195
7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid, tert-butyldimethylsilyl ester
CID 91697376
cis-5-Dodecenoic acid, tert-butyldimethylsilyl ester
CID 91738891
methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
CID 11393179
methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate
CID 11449703
methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate
CID 71578405
methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
CID 71578822
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate
CID 154720226
methyl (E)-3-trimethylsilyldec-4-enoate
CID 10491342
methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate
CID 11782847
ethyl (E,7E)-7-(trimethylsilylmethylidene)tridec-5-enoate
CID 100947820

Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate?
The IUPAC name of methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate (CID 102203795) is methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate.
What is the SMILES notation for methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate?
The canonical SMILES for methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate is C=CCCCCCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate?
The InChIKey is VVJYGJMGHSWCLF-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-8-9-10-11-12-13-14-15-16-17(2)18(19(20)21-3)22(4,5)6/h7,16,18H,1,8-15H2,2-6H3/b17-16-.
What are the key properties of methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate?
methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate has a molecular weight of 324.58 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate is sourced from PubChem (CID 102203795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).