[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate

C23H44O2Si — CID 100968593

IUPAC[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
SMILESC=C(CCCCOC(=O)C(C)(C)C)C/C(=C/[Si](C)(C)C)CCCCCC
InChIInChI=1S/C23H44O2Si/c1-9-10-11-12-16-21(19-26(6,7)8)18-20(2)15-13-14-17-25-22(24)23(3,4)5/h19H,2,9-18H2,1,3-8H3/b21-19+
InChIKeyJIRPTYSSTUDZHH-XUTLUUPISA-N
MW380.69 g/mol
LogP7.47
Rot. Bonds13

About [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate

[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate (PubChem CID 100968593) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
PubChem CID100968593
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
SMILESC=C(CCCCOC(=O)C(C)(C)C)C/C(=C/[Si](C)(C)C)CCCCCC
InChIInChI=1S/C23H44O2Si/c1-9-10-11-12-16-21(19-26(6,7)8)18-20(2)15-13-14-17-25-22(24)23(3,4)5/h19H,2,9-18H2,1,3-8H3/b21-19+
InChIKeyJIRPTYSSTUDZHH-XUTLUUPISA-N
XLogP7.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.47
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

Methyl 11-methylidene-13-triethylsilyltridecanoate
CID 135061991
Methyl 10-methylidene-12-trimethylsilyldodecanoate
CID 176427897
Undec-10-enyl 2-trimethylsilylacetate
CID 88523333
7-[Tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
CID 139889078
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
2-Methyl-6-methylidenenon-1-ene;(7-methyl-3-methylideneoct-7-enyl) propanoate
CID 160665225
[4-[Tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 173579927
2-(Trimethylsilylmethyl)dodec-1-en-5-yl acetate
CID 12841784
2-(Trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate
CID 12841786
7-Methyloct-7-enyl 2,2-dimethylpropanoate
CID 85871440
[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-1-enyl] acetate
CID 101380619
[(E)-2-butyl-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl] acetate
CID 101380620

Frequently Asked Questions

What is the IUPAC name of [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate?
The IUPAC name of [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate (CID 100968593) is [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate is C=C(CCCCOC(=O)C(C)(C)C)C/C(=C/[Si](C)(C)C)CCCCCC.
What is the InChIKey of [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate?
The InChIKey is JIRPTYSSTUDZHH-XUTLUUPISA-N. The full InChI is InChI=1S/C23H44O2Si/c1-9-10-11-12-16-21(19-26(6,7)8)18-20(2)15-13-14-17-25-22(24)23(3,4)5/h19H,2,9-18H2,1,3-8H3/b21-19+.
What are the key properties of [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate?
[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate has a molecular weight of 380.69 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 100968593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).