1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane

C21H44O6Si — CID 141340330

IUPAC1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
SMILESCCC(OC(CC)[Si](OC(C)OC)(C(C)C)C(C)C)OC1(CC)OCCCO1
InChIInChI=1S/C21H44O6Si/c1-10-19(26-21(12-3)23-14-13-15-24-21)25-20(11-2)28(16(4)5,17(6)7)27-18(8)22-9/h16-20H,10-15H2,1-9H3
InChIKeyHDASSPKSBUIZPF-UHFFFAOYSA-N
MW420.66 g/mol
LogP5.35
Rot. Bonds13

About 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane

1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane (PubChem CID 141340330) has the molecular formula C21H44O6Si and a molecular weight of 420.66 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane.

Molecular Properties

Compound Name1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
PubChem CID141340330
Molecular FormulaC21H44O6Si
Molecular Weight420.66 g/mol
Exact Mass420.29
IUPAC Name1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane
SMILESCCC(OC(CC)[Si](OC(C)OC)(C(C)C)C(C)C)OC1(CC)OCCCO1
InChIInChI=1S/C21H44O6Si/c1-10-19(26-21(12-3)23-14-13-15-24-21)25-20(11-2)28(16(4)5,17(6)7)27-18(8)22-9/h16-20H,10-15H2,1-9H3
InChIKeyHDASSPKSBUIZPF-UHFFFAOYSA-N
XLogP5.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.66
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[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
2-ethyl-2-methoxy-1,3-dioxolane
CID 13229909
(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-2-yl]hept-5-en-2-ol
CID 10906996
tributoxy-[1-[1-[(2,4-diethyl-1,3-dioxetan-2-yl)oxy]propoxy]butyl]silane
CID 141339673
tris(1-methoxypropoxy)-methylsilane
CID 18954126
2-(2-ethyl-1,3-dioxan-2-yl)propan-2-yloxy-di(propan-2-yloxy)-propylsilane
CID 141199986
(2-butan-2-yloxolan-2-yl)methanamine
CID 126987670
tetrakis[(1S)-1-methoxyethyl] silicate
CID 124630582
(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
CID 141167016
3-(1-methoxyethoxy)hexane
CID 145051636

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane?
The IUPAC name of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane (CID 141340330) is 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane.
What is the SMILES notation for 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane?
The canonical SMILES for 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane is CCC(OC(CC)[Si](OC(C)OC)(C(C)C)C(C)C)OC1(CC)OCCCO1.
What is the InChIKey of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane?
The InChIKey is HDASSPKSBUIZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O6Si/c1-10-19(26-21(12-3)23-14-13-15-24-21)25-20(11-2)28(16(4)5,17(6)7)27-18(8)22-9/h16-20H,10-15H2,1-9H3.
What are the key properties of 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane?
1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane has a molecular weight of 420.66 g/mol, XLogP of 5.35, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-1,3-dioxan-2-yl)oxy]propoxy]propyl-(1-methoxyethoxy)-di(propan-2-yl)silane is sourced from PubChem (CID 141340330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).