15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one

C30H64O2SiSn — CID 166443726

IUPAC15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one
SMILESCCCC[Sn](CCCC)(CCCC)C(CCCCCCCCCCC(=O)CCC)O[Si](C)(C)C
InChIInChI=1S/C18H37O2Si.3C4H9.Sn/c1-5-15-18(19)16-13-11-9-7-6-8-10-12-14-17-20-21(2,3)4;3*1-3-4-2;/h17H,5-16H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyYPDDHZPZTWKTCJ-UHFFFAOYSA-N
MW603.64 g/mol
LogP10.86
Rot. Bonds25

About 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one

15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one (PubChem CID 166443726) has the molecular formula C30H64O2SiSn and a molecular weight of 603.64 g/mol. Its IUPAC name is 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one.

Molecular Properties

Compound Name15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one
PubChem CID166443726
Molecular FormulaC30H64O2SiSn
Molecular Weight603.64 g/mol
Exact Mass604.37
IUPAC Name15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one
SMILESCCCC[Sn](CCCC)(CCCC)C(CCCCCCCCCCC(=O)CCC)O[Si](C)(C)C
InChIInChI=1S/C18H37O2Si.3C4H9.Sn/c1-5-15-18(19)16-13-11-9-7-6-8-10-12-14-17-20-21(2,3)4;3*1-3-4-2;/h17H,5-16H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyYPDDHZPZTWKTCJ-UHFFFAOYSA-N
XLogP10.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.64
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
Octadecanoic acid, 12-(trimethylsiloxy)-, trimethylsilyl ester
CID 553334
Methyl 13-trimethylsilyloxy-stearate
CID 14454548
Methyl 9-[(trimethylsilyl)oxy]hexadecanoate
CID 14454566
Methyl 9-trimethyl-silyloxystearate
CID 14454579
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
Methyl 11-((trimethylsilyl)oxy)eicosanoate
CID 85976491

Frequently Asked Questions

What is the IUPAC name of 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one?
The IUPAC name of 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one (CID 166443726) is 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one.
What is the SMILES notation for 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one?
The canonical SMILES for 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one is CCCC[Sn](CCCC)(CCCC)C(CCCCCCCCCCC(=O)CCC)O[Si](C)(C)C.
What is the InChIKey of 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one?
The InChIKey is YPDDHZPZTWKTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O2Si.3C4H9.Sn/c1-5-15-18(19)16-13-11-9-7-6-8-10-12-14-17-20-21(2,3)4;3*1-3-4-2;/h17H,5-16H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one?
15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one has a molecular weight of 603.64 g/mol, XLogP of 10.86, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tributylstannyl-15-trimethylsilyloxypentadecan-4-one is sourced from PubChem (CID 166443726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).