2,2-dioctyldecoxy-diethoxy-octylsilane

C38H80O3Si — CID 154020253

IUPAC2,2-dioctyldecoxy-diethoxy-octylsilane
SMILESCCCCCCCCC(CCCCCCCC)(CCCCCCCC)CO[Si](CCCCCCCC)(OCC)OCC
InChIInChI=1S/C38H80O3Si/c1-7-13-17-21-25-29-33-38(34-30-26-22-18-14-8-2,35-31-27-23-19-15-9-3)37-41-42(39-11-5,40-12-6)36-32-28-24-20-16-10-4/h7-37H2,1-6H3
InChIKeyKNJVDKQEOJLGJZ-UHFFFAOYSA-N
MW613.14 g/mol
LogP13.61
Rot. Bonds35

About 2,2-dioctyldecoxy-diethoxy-octylsilane

2,2-dioctyldecoxy-diethoxy-octylsilane (PubChem CID 154020253) has the molecular formula C38H80O3Si and a molecular weight of 613.14 g/mol. Its IUPAC name is 2,2-dioctyldecoxy-diethoxy-octylsilane.

Molecular Properties

Compound Name2,2-dioctyldecoxy-diethoxy-octylsilane
PubChem CID154020253
Molecular FormulaC38H80O3Si
Molecular Weight613.14 g/mol
Exact Mass612.59
IUPAC Name2,2-dioctyldecoxy-diethoxy-octylsilane
SMILESCCCCCCCCC(CCCCCCCC)(CCCCCCCC)CO[Si](CCCCCCCC)(OCC)OCC
InChIInChI=1S/C38H80O3Si/c1-7-13-17-21-25-29-33-38(34-30-26-22-18-14-8-2,35-31-27-23-19-15-9-3)37-41-42(39-11-5,40-12-6)36-32-28-24-20-16-10-4/h7-37H2,1-6H3
InChIKeyKNJVDKQEOJLGJZ-UHFFFAOYSA-N
XLogP13.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.14
LogP ≤ 513.61
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

dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
triethoxy(18,18,18-tribromooctadecyl)silane
CID 140708887

Frequently Asked Questions

What is the IUPAC name of 2,2-dioctyldecoxy-diethoxy-octylsilane?
The IUPAC name of 2,2-dioctyldecoxy-diethoxy-octylsilane (CID 154020253) is 2,2-dioctyldecoxy-diethoxy-octylsilane.
What is the SMILES notation for 2,2-dioctyldecoxy-diethoxy-octylsilane?
The canonical SMILES for 2,2-dioctyldecoxy-diethoxy-octylsilane is CCCCCCCCC(CCCCCCCC)(CCCCCCCC)CO[Si](CCCCCCCC)(OCC)OCC.
What is the InChIKey of 2,2-dioctyldecoxy-diethoxy-octylsilane?
The InChIKey is KNJVDKQEOJLGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80O3Si/c1-7-13-17-21-25-29-33-38(34-30-26-22-18-14-8-2,35-31-27-23-19-15-9-3)37-41-42(39-11-5,40-12-6)36-32-28-24-20-16-10-4/h7-37H2,1-6H3.
What are the key properties of 2,2-dioctyldecoxy-diethoxy-octylsilane?
2,2-dioctyldecoxy-diethoxy-octylsilane has a molecular weight of 613.14 g/mol, XLogP of 13.61, 35 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioctyldecoxy-diethoxy-octylsilane is sourced from PubChem (CID 154020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).