[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate

C24H61O4PSi4 — CID 173398216

IUPAC[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate
SMILESCCCCC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(P)(CCCC)CCCC.O
InChIInChI=1S/C24H59O3PSi4.H2O/c1-13-16-19-23(24(28,20-17-14-2)21-18-15-3)22-32(25-29(4,5)6,26-30(7,8)9)27-31(10,11)12;/h23H,13-22,28H2,1-12H3;1H2
InChIKeyCJYSQUUFASAQLZ-UHFFFAOYSA-N
MW557.07 g/mol
LogP8.46
Rot. Bonds18

About [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate

[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate (PubChem CID 173398216) has the molecular formula C24H61O4PSi4 and a molecular weight of 557.07 g/mol. Its IUPAC name is [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate.

Molecular Properties

Compound Name[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate
PubChem CID173398216
Molecular FormulaC24H61O4PSi4
Molecular Weight557.07 g/mol
Exact Mass556.34
IUPAC Name[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate
SMILESCCCCC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(P)(CCCC)CCCC.O
InChIInChI=1S/C24H59O3PSi4.H2O/c1-13-16-19-23(24(28,20-17-14-2)21-18-15-3)22-32(25-29(4,5)6,26-30(7,8)9)27-31(10,11)12;/h23H,13-22,28H2,1-12H3;1H2
InChIKeyCJYSQUUFASAQLZ-UHFFFAOYSA-N
XLogP8.46
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.07
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
7,8-dihexylicosan-7-ylphosphane
CID 18442252
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969

Frequently Asked Questions

What is the IUPAC name of [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate?
The IUPAC name of [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate (CID 173398216) is [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate.
What is the SMILES notation for [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate?
The canonical SMILES for [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate is CCCCC(C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(P)(CCCC)CCCC.O.
What is the InChIKey of [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate?
The InChIKey is CJYSQUUFASAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H59O3PSi4.H2O/c1-13-16-19-23(24(28,20-17-14-2)21-18-15-3)22-32(25-29(4,5)6,26-30(7,8)9)27-31(10,11)12;/h23H,13-22,28H2,1-12H3;1H2.
What are the key properties of [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate?
[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate has a molecular weight of 557.07 g/mol, XLogP of 8.46, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate is sourced from PubChem (CID 173398216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).