diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane

C12H26O3Si — CID 172997108

IUPACdiethoxy-[1-(2-methylprop-2-enoxy)butyl]silane
SMILESC=C(C)COC(CCC)[SiH](OCC)OCC
InChIInChI=1S/C12H26O3Si/c1-6-9-12(13-10-11(4)5)16(14-7-2)15-8-3/h12,16H,4,6-10H2,1-3,5H3
InChIKeyPPQBPZIRBXTZQF-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.58
Rot. Bonds10

About diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane

diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane (PubChem CID 172997108) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane.

Molecular Properties

Compound Namediethoxy-[1-(2-methylprop-2-enoxy)butyl]silane
PubChem CID172997108
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namediethoxy-[1-(2-methylprop-2-enoxy)butyl]silane
SMILESC=C(C)COC(CCC)[SiH](OCC)OCC
InChIInChI=1S/C12H26O3Si/c1-6-9-12(13-10-11(4)5)16(14-7-2)15-8-3/h12,16H,4,6-10H2,1-3,5H3
InChIKeyPPQBPZIRBXTZQF-UHFFFAOYSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxysilylbutyl 2-methylprop-2-enoate
CID 123755073
3-(2-methylprop-2-enoxy)hexan-2-one
CID 143554575
disilanyl-hydroxy-[1-(2-methylprop-2-enoxy)propyl]silane
CID 173408779
ethane;3-(2-methylprop-2-enoxy)hexan-2-one;hydrate
CID 143554574
3-(2-methylprop-2-enoxy)pentane
CID 123638560
diethoxy(1-propoxypropyl)silane;hydrate
CID 174935821
2-methyl-3-(1-propoxyethoxy)prop-1-ene
CID 173289997
N-(1-diethoxysilylbutyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 173373078
dichloromethyl-(2-methylprop-2-enoxy)-propylsilane
CID 173234353
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
1-diethoxysilyl-N-ethylbutan-1-amine
CID 173031845
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
CID 71583350

Frequently Asked Questions

What is the IUPAC name of diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane?
The IUPAC name of diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane (CID 172997108) is diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane.
What is the SMILES notation for diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane?
The canonical SMILES for diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane is C=C(C)COC(CCC)[SiH](OCC)OCC.
What is the InChIKey of diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane?
The InChIKey is PPQBPZIRBXTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-9-12(13-10-11(4)5)16(14-7-2)15-8-3/h12,16H,4,6-10H2,1-3,5H3.
What are the key properties of diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane?
diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane has a molecular weight of 246.42 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane is sourced from PubChem (CID 172997108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).