dodecyl-dimethyl-[(E)-undec-2-enoxy]silane

C25H52OSi — CID 5353203

IUPACdodecyl-dimethyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C25H52OSi/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h20,22H,5-19,21,23-25H2,1-4H3/b22-20+
InChIKeyJDHRETPQLPCKIP-LSDHQDQOSA-N
MW396.78 g/mol
LogP9.44
Rot. Bonds21

About dodecyl-dimethyl-[(E)-undec-2-enoxy]silane

dodecyl-dimethyl-[(E)-undec-2-enoxy]silane (PubChem CID 5353203) has the molecular formula C25H52OSi and a molecular weight of 396.78 g/mol. Its IUPAC name is dodecyl-dimethyl-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Namedodecyl-dimethyl-[(E)-undec-2-enoxy]silane
PubChem CID5353203
Molecular FormulaC25H52OSi
Molecular Weight396.78 g/mol
Exact Mass396.38
IUPAC Namedodecyl-dimethyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C25H52OSi/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h20,22H,5-19,21,23-25H2,1-4H3/b22-20+
InChIKeyJDHRETPQLPCKIP-LSDHQDQOSA-N
XLogP9.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.78
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
2-Decen-1-ol, (E)-, TMS derivative
CID 14970964
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
1-Trimethylsilyoxylundec-2-ene
CID 5353184
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
1-Dimethyloctylsilyloxyundec-2-ene
CID 5353191
2-Tripropylsilyloxyoct-3-ene
CID 5353192
1-Tripropylsilyloxyundec-2-ene
CID 5353193
2-Trihexylsilyloxyoct-3-ene
CID 5353195
1-Trihexylsilyloxyundec-2-ene
CID 5353196

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-[(E)-undec-2-enoxy]silane?
The IUPAC name of dodecyl-dimethyl-[(E)-undec-2-enoxy]silane (CID 5353203) is dodecyl-dimethyl-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for dodecyl-dimethyl-[(E)-undec-2-enoxy]silane?
The canonical SMILES for dodecyl-dimethyl-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-[(E)-undec-2-enoxy]silane?
The InChIKey is JDHRETPQLPCKIP-LSDHQDQOSA-N. The full InChI is InChI=1S/C25H52OSi/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h20,22H,5-19,21,23-25H2,1-4H3/b22-20+.
What are the key properties of dodecyl-dimethyl-[(E)-undec-2-enoxy]silane?
dodecyl-dimethyl-[(E)-undec-2-enoxy]silane has a molecular weight of 396.78 g/mol, XLogP of 9.44, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 5353203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).