bis(3,7-dimethyloctoxy)-ethenyl-methylsilane

C23H48O2Si — CID 91698190

IUPACbis(3,7-dimethyloctoxy)-ethenyl-methylsilane
SMILESC=C[Si](C)(OCCC(C)CCCC(C)C)OCCC(C)CCCC(C)C
InChIInChI=1S/C23H48O2Si/c1-9-26(8,24-18-16-22(6)14-10-12-20(2)3)25-19-17-23(7)15-11-13-21(4)5/h9,20-23H,1,10-19H2,2-8H3
InChIKeyAAHHLUXYYAKUBM-UHFFFAOYSA-N
MW384.72 g/mol
LogP7.52
Rot. Bonds17

About bis(3,7-dimethyloctoxy)-ethenyl-methylsilane

bis(3,7-dimethyloctoxy)-ethenyl-methylsilane (PubChem CID 91698190) has the molecular formula C23H48O2Si and a molecular weight of 384.72 g/mol. Its IUPAC name is bis(3,7-dimethyloctoxy)-ethenyl-methylsilane.

Molecular Properties

Compound Namebis(3,7-dimethyloctoxy)-ethenyl-methylsilane
PubChem CID91698190
Molecular FormulaC23H48O2Si
Molecular Weight384.72 g/mol
Exact Mass384.34
IUPAC Namebis(3,7-dimethyloctoxy)-ethenyl-methylsilane
SMILESC=C[Si](C)(OCCC(C)CCCC(C)C)OCCC(C)CCCC(C)C
InChIInChI=1S/C23H48O2Si/c1-9-26(8,24-18-16-22(6)14-10-12-20(2)3)25-19-17-23(7)15-11-13-21(4)5/h9,20-23H,1,10-19H2,2-8H3
InChIKeyAAHHLUXYYAKUBM-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, methylvinyl(octyloxy)octyloxy-
CID 23105081
Silane, methylvinyldi(2-ethylhexyloxy)-
CID 23213487
Silane, methylvinyl(dodecyloxy)dodecyloxy-
CID 87770809
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, methylvinyl(2,4,4-trimethylpentyloxy)tetradecyloxy-
CID 91693701
Silane, methylvinyl(2,4,4-trimethylpentyloxy)pentadecyloxy-
CID 91693706
Silane, methylvinyl(2,4,4-trimethylpentyloxy)hexadecyloxy-
CID 91693712
Silane, methylvinyl(3,7-dimethyloctyloxy)isobutoxy-
CID 91698410
Silane, methylvinyl(3,7-dimethyloctyloxy)butoxy-
CID 91698411
Silane, methylvinyl(2-ethylhexyloxy)ethoxy-
CID 91708129
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695

Frequently Asked Questions

What is the IUPAC name of bis(3,7-dimethyloctoxy)-ethenyl-methylsilane?
The IUPAC name of bis(3,7-dimethyloctoxy)-ethenyl-methylsilane (CID 91698190) is bis(3,7-dimethyloctoxy)-ethenyl-methylsilane.
What is the SMILES notation for bis(3,7-dimethyloctoxy)-ethenyl-methylsilane?
The canonical SMILES for bis(3,7-dimethyloctoxy)-ethenyl-methylsilane is C=C[Si](C)(OCCC(C)CCCC(C)C)OCCC(C)CCCC(C)C.
What is the InChIKey of bis(3,7-dimethyloctoxy)-ethenyl-methylsilane?
The InChIKey is AAHHLUXYYAKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2Si/c1-9-26(8,24-18-16-22(6)14-10-12-20(2)3)25-19-17-23(7)15-11-13-21(4)5/h9,20-23H,1,10-19H2,2-8H3.
What are the key properties of bis(3,7-dimethyloctoxy)-ethenyl-methylsilane?
bis(3,7-dimethyloctoxy)-ethenyl-methylsilane has a molecular weight of 384.72 g/mol, XLogP of 7.52, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-dimethyloctoxy)-ethenyl-methylsilane is sourced from PubChem (CID 91698190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).