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

C17H36O2Si — CID 91698411

IUPACbutoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane
SMILESC=C[Si](C)(OCCCC)OCCC(C)CCCC(C)C
InChIInChI=1S/C17H36O2Si/c1-7-9-14-18-20(6,8-2)19-15-13-17(5)12-10-11-16(3)4/h8,16-17H,2,7,9-15H2,1,3-6H3
InChIKeyOTBWAQCJKVOYCL-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.47
Rot. Bonds13

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

butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane (PubChem CID 91698411) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane.

Molecular Properties

Compound Namebutoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane
PubChem CID91698411
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namebutoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane
SMILESC=C[Si](C)(OCCCC)OCCC(C)CCCC(C)C
InChIInChI=1S/C17H36O2Si/c1-7-9-14-18-20(6,8-2)19-15-13-17(5)12-10-11-16(3)4/h8,16-17H,2,7,9-15H2,1,3-6H3
InChIKeyOTBWAQCJKVOYCL-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.47
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'}

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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, methylvinyldi(3,7-dimethyloctyloxy)-
CID 91698190
Silane, methylvinyl(3,7-dimethyloctyloxy)isobutoxy-
CID 91698410
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 butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane?
The IUPAC name of butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane (CID 91698411) is butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane.
What is the SMILES notation for butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane?
The canonical SMILES for butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane is C=C[Si](C)(OCCCC)OCCC(C)CCCC(C)C.
What is the InChIKey of butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane?
The InChIKey is OTBWAQCJKVOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-7-9-14-18-20(6,8-2)19-15-13-17(5)12-10-11-16(3)4/h8,16-17H,2,7,9-15H2,1,3-6H3.
What are the key properties of butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane?
butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane has a molecular weight of 300.56 g/mol, XLogP of 5.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(3,7-dimethyloctoxy)-ethenyl-methylsilane is sourced from PubChem (CID 91698411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).