dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium

C12H29O5P2Si+ — CID 175446455

IUPACdipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium
SMILESCCCP(=O)(CCC)[P+](=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C12H29O5P2Si/c1-6-10-19(14,11-7-2)18(13)9-8-12-20(15-3,16-4)17-5/h6-12H2,1-5H3/q+1
InChIKeyRNXPVTYWWFASHE-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.18
Rot. Bonds12

About dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium

dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium (PubChem CID 175446455) has the molecular formula C12H29O5P2Si+ and a molecular weight of 343.39 g/mol. Its IUPAC name is dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium.

Molecular Properties

Compound Namedipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium
PubChem CID175446455
Molecular FormulaC12H29O5P2Si+
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Namedipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium
SMILESCCCP(=O)(CCC)[P+](=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C12H29O5P2Si/c1-6-10-19(14,11-7-2)18(13)9-8-12-20(15-3,16-4)17-5/h6-12H2,1-5H3/q+1
InChIKeyRNXPVTYWWFASHE-UHFFFAOYSA-N
XLogP4.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
dipropylphosphorylmethoxy-ethyl-dimethoxysilane
CID 175446444
ethoxysilane;hexadecyl(trimethoxy)silane
CID 162057078
azane;bis(trimethoxy(propyl)silane)
CID 87892957

Frequently Asked Questions

What is the IUPAC name of dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium?
The IUPAC name of dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium (CID 175446455) is dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium.
What is the SMILES notation for dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium?
The canonical SMILES for dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium is CCCP(=O)(CCC)[P+](=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium?
The InChIKey is RNXPVTYWWFASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O5P2Si/c1-6-10-19(14,11-7-2)18(13)9-8-12-20(15-3,16-4)17-5/h6-12H2,1-5H3/q+1.
What are the key properties of dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium?
dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium has a molecular weight of 343.39 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylphosphoryl-oxo-(3-trimethoxysilylpropyl)phosphanium is sourced from PubChem (CID 175446455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).