chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane

C29H64ClOPSi — CID 153404340

IUPACchloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane
SMILESCCCCCCCCP(Cl)(CCCCCCCC)(CCCCCCCC)C[Si](C)(C)OCC
InChIInChI=1S/C29H64ClOPSi/c1-7-11-14-17-20-23-26-32(30,29-33(5,6)31-10-4,27-24-21-18-15-12-8-2)28-25-22-19-16-13-9-3/h7-29H2,1-6H3
InChIKeyLHGZLHOQFWZEJK-UHFFFAOYSA-N
MW523.34 g/mol
LogP11.56
Rot. Bonds25

About chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane

chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane (PubChem CID 153404340) has the molecular formula C29H64ClOPSi and a molecular weight of 523.34 g/mol. Its IUPAC name is chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane
PubChem CID153404340
Molecular FormulaC29H64ClOPSi
Molecular Weight523.34 g/mol
Exact Mass522.42
IUPAC Namechloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane
SMILESCCCCCCCCP(Cl)(CCCCCCCC)(CCCCCCCC)C[Si](C)(C)OCC
InChIInChI=1S/C29H64ClOPSi/c1-7-11-14-17-20-23-26-32(30,29-33(5,6)31-10-4,27-24-21-18-15-12-8-2)28-25-22-19-16-13-9-3/h7-29H2,1-6H3
InChIKeyLHGZLHOQFWZEJK-UHFFFAOYSA-N
XLogP11.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.34
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
ethoxy-(ethoxy-hexyl-methylsilyl)-hexyl-methylsilane
CID 11110794
diethoxy-methyl-undecylsilane
CID 140884401
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226

Frequently Asked Questions

What is the IUPAC name of chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane?
The IUPAC name of chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane (CID 153404340) is chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane.
What is the SMILES notation for chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane?
The canonical SMILES for chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane is CCCCCCCCP(Cl)(CCCCCCCC)(CCCCCCCC)C[Si](C)(C)OCC.
What is the InChIKey of chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane?
The InChIKey is LHGZLHOQFWZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H64ClOPSi/c1-7-11-14-17-20-23-26-32(30,29-33(5,6)31-10-4,27-24-21-18-15-12-8-2)28-25-22-19-16-13-9-3/h7-29H2,1-6H3.
What are the key properties of chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane?
chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane has a molecular weight of 523.34 g/mol, XLogP of 11.56, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane is sourced from PubChem (CID 153404340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).