[dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane

C21H46O3Si2 — CID 91737007

IUPAC[dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)O[Si](C)(C)OCCCCCC
InChIInChI=1S/C21H46O3Si2/c1-7-9-11-13-14-15-16-17-19-21-23-26(5,6)24-25(3,4)22-20-18-12-10-8-2/h17,19H,7-16,18,20-21H2,1-6H3/b19-17+
InChIKeyIXTBGVLFGHVCAQ-HTXNQAPBSA-N
MW402.77 g/mol
LogP7.33
Rot. Bonds18

About [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane

[dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane (PubChem CID 91737007) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane
PubChem CID91737007
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name[dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)O[Si](C)(C)OCCCCCC
InChIInChI=1S/C21H46O3Si2/c1-7-9-11-13-14-15-16-17-19-21-23-26(5,6)24-25(3,4)22-20-18-12-10-8-2/h17,19H,7-16,18,20-21H2,1-6H3/b19-17+
InChIKeyIXTBGVLFGHVCAQ-HTXNQAPBSA-N
XLogP7.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
1-Dimethyloctylsilyloxyundec-2-ene
CID 5353191
1-Tripropylsilyloxyundec-2-ene
CID 5353193
1-Trihexylsilyloxyundec-2-ene
CID 5353196
1-Tributylsilyloxyundec-2-ene
CID 5353201
1-Dimethyldodecylsilyloxyundec-2-ene
CID 5353203
cis-9-octadecenol, tBDMS
CID 6430273

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane?
The IUPAC name of [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane (CID 91737007) is [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane.
What is the SMILES notation for [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane?
The canonical SMILES for [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane is CCCCCCCC/C=C/CO[Si](C)(C)O[Si](C)(C)OCCCCCC.
What is the InChIKey of [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane?
The InChIKey is IXTBGVLFGHVCAQ-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-7-9-11-13-14-15-16-17-19-21-23-26(5,6)24-25(3,4)22-20-18-12-10-8-2/h17,19H,7-16,18,20-21H2,1-6H3/b19-17+.
What are the key properties of [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane?
[dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane has a molecular weight of 402.77 g/mol, XLogP of 7.33, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[(E)-undec-2-enoxy]silyl]oxy-hexoxy-dimethylsilane is sourced from PubChem (CID 91737007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).