dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane

C21H44O3Si — CID 91743336

IUPACdodecoxy-diethyl-(oxolan-2-ylmethoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)OCC1CCCO1
InChIInChI=1S/C21H44O3Si/c1-4-7-8-9-10-11-12-13-14-15-19-23-25(5-2,6-3)24-20-21-17-16-18-22-21/h21H,4-20H2,1-3H3
InChIKeyXUGDIWJISPCIQR-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.60
Rot. Bonds17

About dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane

dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane (PubChem CID 91743336) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane.

Molecular Properties

Compound Namedodecoxy-diethyl-(oxolan-2-ylmethoxy)silane
PubChem CID91743336
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Namedodecoxy-diethyl-(oxolan-2-ylmethoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)OCC1CCCO1
InChIInChI=1S/C21H44O3Si/c1-4-7-8-9-10-11-12-13-14-15-19-23-25(5-2,6-3)24-20-21-17-16-18-22-21/h21H,4-20H2,1-3H3
InChIKeyXUGDIWJISPCIQR-UHFFFAOYSA-N
XLogP6.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(hexylperoxymethyl)oxolane
CID 88781024
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
dimethyl-(4-methylpentoxy)-(oxolan-2-ylmethoxy)silane
CID 91696051
2-tetradecyloxolane
CID 10683364
butyl-[4-(oxolan-2-ylmethoxy)butyl]indigane
CID 150919009

Frequently Asked Questions

What is the IUPAC name of dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane?
The IUPAC name of dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane (CID 91743336) is dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane.
What is the SMILES notation for dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane?
The canonical SMILES for dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane is CCCCCCCCCCCCO[Si](CC)(CC)OCC1CCCO1.
What is the InChIKey of dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane?
The InChIKey is XUGDIWJISPCIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-4-7-8-9-10-11-12-13-14-15-19-23-25(5-2,6-3)24-20-21-17-16-18-22-21/h21H,4-20H2,1-3H3.
What are the key properties of dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane?
dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane has a molecular weight of 372.67 g/mol, XLogP of 6.60, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane is sourced from PubChem (CID 91743336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).