5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane

C15H30O3Si — CID 67430031

IUPAC5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane
SMILESC=C(C)COCCC[Si]1(C)OCC(CC)(CC)CO1
InChIInChI=1S/C15H30O3Si/c1-6-15(7-2)12-17-19(5,18-13-15)10-8-9-16-11-14(3)4/h3,6-13H2,1-2,4-5H3
InChIKeyRREMMUOGIXVJFI-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.89
Rot. Bonds8

About 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane

5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane (PubChem CID 67430031) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane
PubChem CID67430031
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane
SMILESC=C(C)COCCC[Si]1(C)OCC(CC)(CC)CO1
InChIInChI=1S/C15H30O3Si/c1-6-15(7-2)12-17-19(5,18-13-15)10-8-9-16-11-14(3)4/h3,6-13H2,1-2,4-5H3
InChIKeyRREMMUOGIXVJFI-UHFFFAOYSA-N
XLogP3.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.89
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

2-hydroxy-2-[3-(2-methylprop-2-enoxy)propyl]oxasilinane
CID 69279485
CID 59269543
CID 59269543
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
3-ethyl-3-(2-methylprop-2-enyl)oxetane
CID 89146557
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
CID 88729862
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane
CID 20563726
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
trimethyl-[3-(2-methylprop-2-enoxy)propyl-[3-(2-methylprop-2-enoxy)propyl-bis(trimethylsilyloxy)silyl]oxy-trimethylsilyloxysilyl]oxysilane
CID 87093098
5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
CID 68640152
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane?
The IUPAC name of 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane (CID 67430031) is 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane.
What is the SMILES notation for 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane?
The canonical SMILES for 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane is C=C(C)COCCC[Si]1(C)OCC(CC)(CC)CO1.
What is the InChIKey of 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane?
The InChIKey is RREMMUOGIXVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-6-15(7-2)12-17-19(5,18-13-15)10-8-9-16-11-14(3)4/h3,6-13H2,1-2,4-5H3.
What are the key properties of 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane?
5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane has a molecular weight of 286.49 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-2-[3-(2-methylprop-2-enoxy)propyl]-1,3,2-dioxasilinane is sourced from PubChem (CID 67430031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).