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

C29H60O2Si — CID 91743719

IUPAChexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H60O2Si/c1-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-32(3,4)30-28-26-24-22-20-14-12-10-8-6-2/h24,26H,5-23,25,27-29H2,1-4H3/b26-24+
InChIKeyQVAWBBIAFVCUFK-SHHOIMCASA-N
MW468.88 g/mol
LogP10.51
Rot. Bonds26

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

hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane (PubChem CID 91743719) has the molecular formula C29H60O2Si and a molecular weight of 468.88 g/mol. Its IUPAC name is hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Namehexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane
PubChem CID91743719
Molecular FormulaC29H60O2Si
Molecular Weight468.88 g/mol
Exact Mass468.44
IUPAC Namehexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H60O2Si/c1-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-32(3,4)30-28-26-24-22-20-14-12-10-8-6-2/h24,26H,5-23,25,27-29H2,1-4H3/b26-24+
InChIKeyQVAWBBIAFVCUFK-SHHOIMCASA-N
XLogP10.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 510.51
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

hexoxy-dimethyl-[(E)-undec-2-enoxy]silane
CID 91734985
dimethyl-propoxy-[(E)-undec-2-enoxy]silane
CID 91726222
[(E)-dodec-2-enoxy]-ethoxy-dimethylsilane
CID 91723218
[(E)-but-2-enoxy]-dimethyl-octoxysilane
CID 91697268
methyl-tris(octadec-9-enoxy)silane
CID 91284347
trimethyl-[(E)-undec-2-enoxy]silane
CID 5353184
[(E)-dodec-2-enoxy]-[ethoxy(dimethyl)silyl]oxy-dimethylsilane
CID 91727062
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
dimethyl-(3-methylbut-2-enoxy)-octoxysilane
CID 91739054

Frequently Asked Questions

What is the IUPAC name of hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane?
The IUPAC name of hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane (CID 91743719) is hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane?
The canonical SMILES for hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](C)(C)OCCCCCCCCCCCCCCCC.
What is the InChIKey of hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane?
The InChIKey is QVAWBBIAFVCUFK-SHHOIMCASA-N. The full InChI is InChI=1S/C29H60O2Si/c1-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-32(3,4)30-28-26-24-22-20-14-12-10-8-6-2/h24,26H,5-23,25,27-29H2,1-4H3/b26-24+.
What are the key properties of hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane?
hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane has a molecular weight of 468.88 g/mol, XLogP of 10.51, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 91743719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).