tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane

C23H48Si — CID 134880899

IUPACtert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane
SMILESCCCCCCCCCCCCCC/C=C/C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(5,6)23(2,3)4/h20-21H,7-19,22H2,1-6H3/b21-20+
InChIKeyPZUYOYJKTNULKW-QZQOTICOSA-N
MW352.72 g/mol
LogP9.14
Rot. Bonds15

About tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane

tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane (PubChem CID 134880899) has the molecular formula C23H48Si and a molecular weight of 352.72 g/mol. Its IUPAC name is tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane
PubChem CID134880899
Molecular FormulaC23H48Si
Molecular Weight352.72 g/mol
Exact Mass352.35
IUPAC Nametert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane
SMILESCCCCCCCCCCCCCC/C=C/C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(5,6)23(2,3)4/h20-21H,7-19,22H2,1-6H3/b21-20+
InChIKeyPZUYOYJKTNULKW-QZQOTICOSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.72
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Tri(cyclohexa-2,5-dien-1-yl)(octyl)silane
CID 91826060
trimethyl-[(4Z)-undeca-1,4-dien-4-yl]silane
CID 10900278
trimethyl-[(E)-tridec-2-enyl]silane
CID 10912099
[(Z)-dodec-5-en-5-yl]-trimethylsilane
CID 12007096
trimethyl-[(Z)-non-2-enyl]silane
CID 12507242
[(E)-dec-2-enyl]-trimethylsilane
CID 13776256
[(Z)-dec-3-en-3-yl]-trimethylsilane
CID 92034045
[(E)-3-butyl-2-methyl-5-methylidenenon-2-enyl]-triethylsilane
CID 101777994
triethyl-[(E)-non-2-en-2-yl]silane
CID 134975601
[(Z)-dodec-1-enyl]-triethylsilane
CID 11033344
[(E)-dodec-1-enyl]-trimethylsilane
CID 11368463
[(Z)-dodec-1-enyl]-trimethylsilane
CID 12476354

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane (CID 134880899) is tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane is CCCCCCCCCCCCCC/C=C/C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane?
The InChIKey is PZUYOYJKTNULKW-QZQOTICOSA-N. The full InChI is InChI=1S/C23H48Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(5,6)23(2,3)4/h20-21H,7-19,22H2,1-6H3/b21-20+.
What are the key properties of tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane?
tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane has a molecular weight of 352.72 g/mol, XLogP of 9.14, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-heptadec-2-enyl]-dimethylsilane is sourced from PubChem (CID 134880899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).