[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane

C18H38O4Si — CID 141259847

IUPAC[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane
SMILESCCC[Si](C)(OC(C)(C)C)OC(C)(C)CC1(CC)OCCCO1
InChIInChI=1S/C18H38O4Si/c1-9-14-23(8,21-16(3,4)5)22-17(6,7)15-18(10-2)19-12-11-13-20-18/h9-15H2,1-8H3
InChIKeyFMTAJFYHQUIEIE-UHFFFAOYSA-N
MW346.58 g/mol
LogP5.01
Rot. Bonds8

About [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane

[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane (PubChem CID 141259847) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane.

Molecular Properties

Compound Name[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane
PubChem CID141259847
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane
SMILESCCC[Si](C)(OC(C)(C)C)OC(C)(C)CC1(CC)OCCCO1
InChIInChI=1S/C18H38O4Si/c1-9-14-23(8,21-16(3,4)5)22-17(6,7)15-18(10-2)19-12-11-13-20-18/h9-15H2,1-8H3
InChIKeyFMTAJFYHQUIEIE-UHFFFAOYSA-N
XLogP5.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-1,3-dioxan-2-yl)propan-2-yloxy-di(propan-2-yloxy)-propylsilane
CID 141199986
(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
CID 141167016
butyl-methoxy-methyl-[(2-methylpropan-2-yl)oxy]silane
CID 139614116
(2-methylpropan-2-yl)oxy-[2-[(2-methylpropan-2-yl)oxy-dipropylsilyl]ethyl]-dipropylsilane
CID 87144094
3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propane-1-thiol
CID 139759526
3-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]propan-1-amine
CID 139759530
dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane
CID 141250407
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
[bis[(2-methylpropan-2-yl)oxy]-propylsilyl]methyl-bis[(2-methylpropan-2-yl)oxy]-propylsilane
CID 87143678
chloromethoxy-(2-ethyl-1,3-dioxan-2-yl)-methoxy-propylsilane
CID 141250184
1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane
CID 168875222
2-heptyl-2-propyl-1,3-dioxane
CID 89440265

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane?
The IUPAC name of [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane (CID 141259847) is [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane.
What is the SMILES notation for [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane?
The canonical SMILES for [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane is CCC[Si](C)(OC(C)(C)C)OC(C)(C)CC1(CC)OCCCO1.
What is the InChIKey of [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane?
The InChIKey is FMTAJFYHQUIEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-9-14-23(8,21-16(3,4)5)22-17(6,7)15-18(10-2)19-12-11-13-20-18/h9-15H2,1-8H3.
What are the key properties of [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane?
[1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane has a molecular weight of 346.58 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-1,3-dioxan-2-yl)-2-methylpropan-2-yl]oxy-methyl-[(2-methylpropan-2-yl)oxy]-propylsilane is sourced from PubChem (CID 141259847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).