heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane

C24H50O2Si — CID 91744381

IUPACheptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C24H50O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-27(4,5)26-23-21-24(2)3/h21H,6-20,22-23H2,1-5H3
InChIKeyKOUFUABTPXFHMH-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.56
Rot. Bonds20

About heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane

heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane (PubChem CID 91744381) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane.

Molecular Properties

Compound Nameheptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane
PubChem CID91744381
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Nameheptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C
InChIInChI=1S/C24H50O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-27(4,5)26-23-21-24(2)3/h21H,6-20,22-23H2,1-5H3
InChIKeyKOUFUABTPXFHMH-UHFFFAOYSA-N
XLogP8.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.56
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

1-Dimethyldodecylsilyloxy-3-methylbut-2-ene
CID 531344
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)heptyloxy-
CID 91697247
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
Silane, dimethyl(but-2-enyloxy)heptyloxy-
CID 91697267
Silane, dimethyl(but-2-enyloxy)octyloxy-
CID 91697268
Silane, dimethyl(but-2-enyloxy)nonyloxy-
CID 91697272
Silane, dimethyl(but-2-enyloxy)dodecyloxy-
CID 91697273
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
Silane, dimethyl(but-2-enyloxy)pentadecyloxy-
CID 91718986
Silane, dimethyl(3-methylbut-2-enyloxy)hexyloxy-
CID 91736521

Frequently Asked Questions

What is the IUPAC name of heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The IUPAC name of heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane (CID 91744381) is heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane.
What is the SMILES notation for heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The canonical SMILES for heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane is CCCCCCCCCCCCCCCCCO[Si](C)(C)OCC=C(C)C.
What is the InChIKey of heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
The InChIKey is KOUFUABTPXFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-27(4,5)26-23-21-24(2)3/h21H,6-20,22-23H2,1-5H3.
What are the key properties of heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane?
heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane has a molecular weight of 398.75 g/mol, XLogP of 8.56, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecoxy-dimethyl-(3-methylbut-2-enoxy)silane is sourced from PubChem (CID 91744381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).