(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane

C18H24ClO3PSi — CID 174577948

IUPAC(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane
SMILESCO[Si](OC)(OC)C(CCCl)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24ClO3PSi/c1-20-24(21-2,22-3)18(14-15-19)23(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyKOYMERVMKDYNGO-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.53
Rot. Bonds9

About (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane

(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane (PubChem CID 174577948) has the molecular formula C18H24ClO3PSi and a molecular weight of 382.90 g/mol. Its IUPAC name is (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane.

Molecular Properties

Compound Name(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane
PubChem CID174577948
Molecular FormulaC18H24ClO3PSi
Molecular Weight382.90 g/mol
Exact Mass382.09
IUPAC Name(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane
SMILESCO[Si](OC)(OC)C(CCCl)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24ClO3PSi/c1-20-24(21-2,22-3)18(14-15-19)23(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyKOYMERVMKDYNGO-UHFFFAOYSA-N
XLogP3.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxybutyl(diphenyl)phosphane
CID 126564219
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
1,2-dichloroethyl(diphenyl)phosphane;nickel
CID 88516422
chloromethyl-methoxy-diphenylsilane
CID 66969961
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
benzhydryl(trimethoxy)silane
CID 121237435
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
1,2,4-trichloro-1-methoxybutane
CID 19787421
4-chlorobutan-2-ylbenzene
CID 570466
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane?
The IUPAC name of (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane (CID 174577948) is (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane.
What is the SMILES notation for (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane?
The canonical SMILES for (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane is CO[Si](OC)(OC)C(CCCl)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane?
The InChIKey is KOYMERVMKDYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClO3PSi/c1-20-24(21-2,22-3)18(14-15-19)23(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3.
What are the key properties of (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane?
(3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane has a molecular weight of 382.90 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-trimethoxysilylpropyl)-diphenylphosphane is sourced from PubChem (CID 174577948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).