10-(1,3-dioxan-2-yl)decyl-triethoxysilane

C20H42O5Si — CID 121235674

IUPAC10-(1,3-dioxan-2-yl)decyl-triethoxysilane
SMILESCCO[Si](CCCCCCCCCCC1OCCCO1)(OCC)OCC
InChIInChI=1S/C20H42O5Si/c1-4-23-26(24-5-2,25-6-3)19-14-12-10-8-7-9-11-13-16-20-21-17-15-18-22-20/h20H,4-19H2,1-3H3
InChIKeyQLUNMSXBMTXUJR-UHFFFAOYSA-N
MW390.64 g/mol
LogP5.31
Rot. Bonds17

About 10-(1,3-dioxan-2-yl)decyl-triethoxysilane

10-(1,3-dioxan-2-yl)decyl-triethoxysilane (PubChem CID 121235674) has the molecular formula C20H42O5Si and a molecular weight of 390.64 g/mol. Its IUPAC name is 10-(1,3-dioxan-2-yl)decyl-triethoxysilane.

Molecular Properties

Compound Name10-(1,3-dioxan-2-yl)decyl-triethoxysilane
PubChem CID121235674
Molecular FormulaC20H42O5Si
Molecular Weight390.64 g/mol
Exact Mass390.28
IUPAC Name10-(1,3-dioxan-2-yl)decyl-triethoxysilane
SMILESCCO[Si](CCCCCCCCCCC1OCCCO1)(OCC)OCC
InChIInChI=1S/C20H42O5Si/c1-4-23-26(24-5-2,25-6-3)19-14-12-10-8-7-9-11-13-16-20-21-17-15-18-22-20/h20H,4-19H2,1-3H3
InChIKeyQLUNMSXBMTXUJR-UHFFFAOYSA-N
XLogP5.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
18-bromooctadecyl(triethoxy)silane
CID 87686820
37-triethoxysilylheptatriacontan-1-ol
CID 87684596
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
silane;triethoxy(tetradecyl)silane
CID 161365398
6-(1,3-dioxan-2-yl)hexyl acetate
CID 13162578
20-triethoxysilylicosane-1-thiol
CID 87684173

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-dioxan-2-yl)decyl-triethoxysilane?
The IUPAC name of 10-(1,3-dioxan-2-yl)decyl-triethoxysilane (CID 121235674) is 10-(1,3-dioxan-2-yl)decyl-triethoxysilane.
What is the SMILES notation for 10-(1,3-dioxan-2-yl)decyl-triethoxysilane?
The canonical SMILES for 10-(1,3-dioxan-2-yl)decyl-triethoxysilane is CCO[Si](CCCCCCCCCCC1OCCCO1)(OCC)OCC.
What is the InChIKey of 10-(1,3-dioxan-2-yl)decyl-triethoxysilane?
The InChIKey is QLUNMSXBMTXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O5Si/c1-4-23-26(24-5-2,25-6-3)19-14-12-10-8-7-9-11-13-16-20-21-17-15-18-22-20/h20H,4-19H2,1-3H3.
What are the key properties of 10-(1,3-dioxan-2-yl)decyl-triethoxysilane?
10-(1,3-dioxan-2-yl)decyl-triethoxysilane has a molecular weight of 390.64 g/mol, XLogP of 5.31, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dioxan-2-yl)decyl-triethoxysilane is sourced from PubChem (CID 121235674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).