1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane

C15H32O7Si — CID 140967214

IUPAC1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane
SMILESCCC(OC(CC)[Si](OC)(OC)OC)OC1(CC)OCCCO1
InChIInChI=1S/C15H32O7Si/c1-7-13(22-15(9-3)19-11-10-12-20-15)21-14(8-2)23(16-4,17-5)18-6/h13-14H,7-12H2,1-6H3
InChIKeyQMEOUCUNKYMPBD-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.45
Rot. Bonds11

About 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane

1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane (PubChem CID 140967214) has the molecular formula C15H32O7Si and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane.

Molecular Properties

Compound Name1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane
PubChem CID140967214
Molecular FormulaC15H32O7Si
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane
SMILESCCC(OC(CC)[Si](OC)(OC)OC)OC1(CC)OCCCO1
InChIInChI=1S/C15H32O7Si/c1-7-13(22-15(9-3)19-11-10-12-20-15)21-14(8-2)23(16-4,17-5)18-6/h13-14H,7-12H2,1-6H3
InChIKeyQMEOUCUNKYMPBD-UHFFFAOYSA-N
XLogP2.45
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane
CID 141339674
[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate
CID 141340334
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
CID 141340330
2-ethyl-2-methoxy-1,3-dioxolane
CID 13229909
tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane
CID 141339673
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
CID 141167016
1-butoxypropyl(trimethoxy)silane
CID 174729395
1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate
CID 175016513
ethyl-dimethoxy-[(2-methyl-1,3-dioxan-2-yl)methoxy]silane
CID 141215951
(2-ethyloxetan-2-yl)-trimethoxysilane
CID 67613618
1-[dimethoxy(methyl)silyl]propane-1-thiol
CID 21264804

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane?
The IUPAC name of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane (CID 140967214) is 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane.
What is the SMILES notation for 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane?
The canonical SMILES for 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane is CCC(OC(CC)[Si](OC)(OC)OC)OC1(CC)OCCCO1.
What is the InChIKey of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane?
The InChIKey is QMEOUCUNKYMPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O7Si/c1-7-13(22-15(9-3)19-11-10-12-20-15)21-14(8-2)23(16-4,17-5)18-6/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane?
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane has a molecular weight of 352.50 g/mol, XLogP of 2.45, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane is sourced from PubChem (CID 140967214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).