methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate

C13H24O2Si — CID 101207969

IUPACmethyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
SMILESC=CCCC/C(=C(\C)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-10-12(16(4,5)6)11(2)13(14)15-3/h7H,1,8-10H2,2-6H3/b12-11-
InChIKeyCYYGVIGYYDTDSH-QXMHVHEDSA-N
MW240.42 g/mol
LogP3.71
Rot. Bonds6

About methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate

methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate (PubChem CID 101207969) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
PubChem CID101207969
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namemethyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
SMILESC=CCCC/C(=C(\C)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-10-12(16(4,5)6)11(2)13(14)15-3/h7H,1,8-10H2,2-6H3/b12-11-
InChIKeyCYYGVIGYYDTDSH-QXMHVHEDSA-N
XLogP3.71
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 ≤ 53.71
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl geranate
CID 5365910
Methyl nerate
CID 5365912
Methyl 3,7-dimethylocta-2,6-dienoate
CID 70917
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
methyl (Z)-2-trimethylsilylhept-2-enoate
CID 12715300
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
Butyl-Methylmetacrylat
CID 13122847
Methyl 2-methylhept-2-enoate
CID 56994579
methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate
CID 11108872

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate?
The IUPAC name of methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate (CID 101207969) is methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate.
What is the SMILES notation for methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate?
The canonical SMILES for methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate is C=CCCC/C(=C(\C)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate?
The InChIKey is CYYGVIGYYDTDSH-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-8-9-10-12(16(4,5)6)11(2)13(14)15-3/h7H,1,8-10H2,2-6H3/b12-11-.
What are the key properties of methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate?
methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate has a molecular weight of 240.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate is sourced from PubChem (CID 101207969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).