1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane

C17H36O7Si — CID 141339674

IUPAC1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane
SMILESCCC(OC(C)OC(CC)[Si](C)(OC)OC)OC1(CC)OCCCO1
InChIInChI=1S/C17H36O7Si/c1-8-15(24-17(10-3)20-12-11-13-21-17)22-14(4)23-16(9-2)25(7,18-5)19-6/h14-16H,8-13H2,1-7H3
InChIKeyBGHVXZNRGGNDBC-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.30
Rot. Bonds12

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

1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane (PubChem CID 141339674) has the molecular formula C17H36O7Si and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane
PubChem CID141339674
Molecular FormulaC17H36O7Si
Molecular Weight380.55 g/mol
Exact Mass380.22
IUPAC Name1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane
SMILESCCC(OC(C)OC(CC)[Si](C)(OC)OC)OC1(CC)OCCCO1
InChIInChI=1S/C17H36O7Si/c1-8-15(24-17(10-3)20-12-11-13-21-17)22-14(4)23-16(9-2)25(7,18-5)19-6/h14-16H,8-13H2,1-7H3
InChIKeyBGHVXZNRGGNDBC-UHFFFAOYSA-N
XLogP3.30
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.30
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-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-trimethoxysilane
CID 140967214
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
CID 141340330
[diacetyloxy-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl]silyl] acetate
CID 141340334
2-ethyl-2-methoxy-1,3-dioxolane
CID 13229909
(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
CID 141167016
1-[dimethoxy(methyl)silyl]propane-1-thiol
CID 21264804
1-(2-ethenoxyethoxy)propyl-dimethoxy-methylsilane
CID 87660001
2-methyl-1-(2-methyl-1,3-dioxan-2-yl)butan-1-one
CID 130457394
tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane
CID 141339673
ethyl-dimethoxy-[(2-methyl-1,3-dioxan-2-yl)methoxy]silane
CID 141215951
[4-[dimethoxy(methyl)silyl]-1-ethyl-2-methylhexyl]-dimethoxy-methylsilane
CID 173062430
(2-ethyloxetan-2-yl)-trimethoxysilane
CID 67613618

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane?
The IUPAC name of 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane (CID 141339674) is 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane.
What is the SMILES notation for 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane?
The canonical SMILES for 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane is CCC(OC(C)OC(CC)[Si](C)(OC)OC)OC1(CC)OCCCO1.
What is the InChIKey of 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane?
The InChIKey is BGHVXZNRGGNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O7Si/c1-8-15(24-17(10-3)20-12-11-13-21-17)22-14(4)23-16(9-2)25(7,18-5)19-6/h14-16H,8-13H2,1-7H3.
What are the key properties of 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane?
1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane has a molecular weight of 380.55 g/mol, XLogP of 3.30, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]ethoxy]propyl-dimethoxy-methylsilane is sourced from PubChem (CID 141339674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).