dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane

C18H38O3Si — CID 88829636

IUPACdibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane
SMILESC=C(C)COCCC[Si](CCC)(OCCCC)OCCCC
InChIInChI=1S/C18H38O3Si/c1-6-9-13-20-22(15-8-3,21-14-10-7-2)16-11-12-19-17-18(4)5/h4,6-17H2,1-3,5H3
InChIKeyMVWPMZRBEWPECI-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.45
Rot. Bonds16

About dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane

dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane (PubChem CID 88829636) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane.

Molecular Properties

Compound Namedibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane
PubChem CID88829636
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Namedibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane
SMILESC=C(C)COCCC[Si](CCC)(OCCCC)OCCCC
InChIInChI=1S/C18H38O3Si/c1-6-9-13-20-22(15-8-3,21-14-10-7-2)16-11-12-19-17-18(4)5/h4,6-17H2,1-3,5H3
InChIKeyMVWPMZRBEWPECI-UHFFFAOYSA-N
XLogP5.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.45
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

1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
butyl-dipentoxy-propylsilane
CID 140892782
ethoxy-diethyl-[3-(2-methylprop-2-enoxy)propyl]silane
CID 87251812
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane
CID 20563726
dibutoxy-ethyl-propylsilane
CID 22556349
decyl-dipropoxy-propylsilane
CID 22228664
trimethyl-[3-(2-methylprop-2-enoxy)propyl-[3-(2-methylprop-2-enoxy)propyl-bis(trimethylsilyloxy)silyl]oxy-trimethylsilyloxysilyl]oxysilane
CID 87093098
butoxy-ethoxy-dioctylsilane
CID 89350080
tributoxy-[1-(2-methylprop-2-enoxy)ethyl]silane
CID 88791213
3-butoxyprop-1-en-2-olate
CID 150634634
CID 59269543
CID 59269543

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane?
The IUPAC name of dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane (CID 88829636) is dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane.
What is the SMILES notation for dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane?
The canonical SMILES for dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane is C=C(C)COCCC[Si](CCC)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane?
The InChIKey is MVWPMZRBEWPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-6-9-13-20-22(15-8-3,21-14-10-7-2)16-11-12-19-17-18(4)5/h4,6-17H2,1-3,5H3.
What are the key properties of dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane?
dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane has a molecular weight of 330.59 g/mol, XLogP of 5.45, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane is sourced from PubChem (CID 88829636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).