tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate

C23H36O2Si — CID 101130049

IUPACtert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate
SMILESCCCCCC/C=C/C(=C\[Si](C)(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H36O2Si/c1-7-8-9-10-11-13-16-20(22(24)25-23(2,3)4)19-26(5,6)21-17-14-12-15-18-21/h12-19H,7-11H2,1-6H3/b16-13+,20-19+
InChIKeyHHSVEQDAWSAKLV-ZMUVCXEASA-N
MW372.63 g/mol
LogP5.94
Rot. Bonds9

About tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate

tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate (PubChem CID 101130049) has the molecular formula C23H36O2Si and a molecular weight of 372.63 g/mol. Its IUPAC name is tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate.

Molecular Properties

Compound Nametert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate
PubChem CID101130049
Molecular FormulaC23H36O2Si
Molecular Weight372.63 g/mol
Exact Mass372.25
IUPAC Nametert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate
SMILESCCCCCC/C=C/C(=C\[Si](C)(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H36O2Si/c1-7-8-9-10-11-13-16-20(22(24)25-23(2,3)4)19-26(5,6)21-17-14-12-15-18-21/h12-19H,7-11H2,1-6H3/b16-13+,20-19+
InChIKeyHHSVEQDAWSAKLV-ZMUVCXEASA-N
XLogP5.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 55.94
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate
CID 11431309
tert-butyl dec-2-enoate
CID 71411738
phenyl docos-2-enoate
CID 54459055
phenyl (E)-triacont-2-enoate
CID 23321595
tert-butyl 2-benzylidenedecanoate
CID 150110674
[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
CID 156904919
N-phenyldec-2-enamide
CID 72974313
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
CID 135045437
(2-methylpropan-2-yl)oxy hexadec-2-eneperoxoate
CID 173363176
benzenesulfonyl icos-2-enoate
CID 142647317

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate?
The IUPAC name of tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate (CID 101130049) is tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate.
What is the SMILES notation for tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate?
The canonical SMILES for tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate is CCCCCC/C=C/C(=C\[Si](C)(C)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate?
The InChIKey is HHSVEQDAWSAKLV-ZMUVCXEASA-N. The full InChI is InChI=1S/C23H36O2Si/c1-7-8-9-10-11-13-16-20(22(24)25-23(2,3)4)19-26(5,6)21-17-14-12-15-18-21/h12-19H,7-11H2,1-6H3/b16-13+,20-19+.
What are the key properties of tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate?
tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate has a molecular weight of 372.63 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E,2E)-2-[[dimethyl(phenyl)silyl]methylidene]dec-3-enoate is sourced from PubChem (CID 101130049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).