methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate

C18H36O2Si — CID 71578822

IUPACmethyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
SMILESCCCCCCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-14-15-16(2)17(18(19)20-3)21(4,5)6/h15,17H,7-14H2,1-6H3/b16-15-
InChIKeyRHQJLDOYSIEMDZ-NXVVXOECSA-N
MW312.57 g/mol
LogP5.95
Rot. Bonds11

About methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate

methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate (PubChem CID 71578822) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
PubChem CID71578822
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namemethyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
SMILESCCCCCCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-14-15-16(2)17(18(19)20-3)21(4,5)6/h15,17H,7-14H2,1-6H3/b16-15-
InChIKeyRHQJLDOYSIEMDZ-NXVVXOECSA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.95
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
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-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
CID 102203795
methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate
CID 154720226
methyl (3E)-3,11-dimethyl-7-methylidenedodeca-3,10-dienoate
CID 88551522
Methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate
CID 123368816
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 140693491
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 173603628

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate?
The IUPAC name of methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate (CID 71578822) is methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate.
What is the SMILES notation for methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate?
The canonical SMILES for methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate is CCCCCCCCC/C=C(/C)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate?
The InChIKey is RHQJLDOYSIEMDZ-NXVVXOECSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-13-14-15-16(2)17(18(19)20-3)21(4,5)6/h15,17H,7-14H2,1-6H3/b16-15-.
What are the key properties of methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate?
methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate has a molecular weight of 312.57 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate is sourced from PubChem (CID 71578822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).