octadecoxy-di(propan-2-yloxy)silane

C24H52O3Si — CID 175421908

IUPACoctadecoxy-di(propan-2-yloxy)silane
SMILESCCCCCCCCCCCCCCCCCCO[SiH](OC(C)C)OC(C)C
InChIInChI=1S/C24H52O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(26-23(2)3)27-24(4)5/h23-24,28H,6-22H2,1-5H3
InChIKeyPTBDTSUNHQOBCQ-UHFFFAOYSA-N
MW416.76 g/mol
LogP7.83
Rot. Bonds22

About octadecoxy-di(propan-2-yloxy)silane

octadecoxy-di(propan-2-yloxy)silane (PubChem CID 175421908) has the molecular formula C24H52O3Si and a molecular weight of 416.76 g/mol. Its IUPAC name is octadecoxy-di(propan-2-yloxy)silane.

Molecular Properties

Compound Nameoctadecoxy-di(propan-2-yloxy)silane
PubChem CID175421908
Molecular FormulaC24H52O3Si
Molecular Weight416.76 g/mol
Exact Mass416.37
IUPAC Nameoctadecoxy-di(propan-2-yloxy)silane
SMILESCCCCCCCCCCCCCCCCCCO[SiH](OC(C)C)OC(C)C
InChIInChI=1S/C24H52O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(26-23(2)3)27-24(4)5/h23-24,28H,6-22H2,1-5H3
InChIKeyPTBDTSUNHQOBCQ-UHFFFAOYSA-N
XLogP7.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.76
LogP ≤ 57.83
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

tri(undecoxy)silane
CID 123875078
ethenoxy(dioctoxy)silane
CID 175242689
didodecoxy(hydroxy)silane
CID 173157233
chloro(dihexoxy)silane
CID 154357629
dibutyl(tetradecoxy)silane
CID 175185035
di(propan-2-yloxy)silyloxymethanethiol
CID 175385220
diethoxy(6-methylheptoxy)silane
CID 123574274
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
hydroxy-nonadecoxy-silylsilane
CID 173155856
hexadecane;triethoxysilane
CID 164978259
octacosane;sulfane
CID 157204687
decane;ruthenium
CID 160818595

Frequently Asked Questions

What is the IUPAC name of octadecoxy-di(propan-2-yloxy)silane?
The IUPAC name of octadecoxy-di(propan-2-yloxy)silane (CID 175421908) is octadecoxy-di(propan-2-yloxy)silane.
What is the SMILES notation for octadecoxy-di(propan-2-yloxy)silane?
The canonical SMILES for octadecoxy-di(propan-2-yloxy)silane is CCCCCCCCCCCCCCCCCCO[SiH](OC(C)C)OC(C)C.
What is the InChIKey of octadecoxy-di(propan-2-yloxy)silane?
The InChIKey is PTBDTSUNHQOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(26-23(2)3)27-24(4)5/h23-24,28H,6-22H2,1-5H3.
What are the key properties of octadecoxy-di(propan-2-yloxy)silane?
octadecoxy-di(propan-2-yloxy)silane has a molecular weight of 416.76 g/mol, XLogP of 7.83, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecoxy-di(propan-2-yloxy)silane is sourced from PubChem (CID 175421908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).