(2-propyl-2-triethoxysilylpentyl)phosphonic acid

C14H33O6PSi — CID 174895590

IUPAC(2-propyl-2-triethoxysilylpentyl)phosphonic acid
SMILESCCCC(CCC)(CP(=O)(O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H33O6PSi/c1-6-11-14(12-7-2,13-21(15,16)17)22(18-8-3,19-9-4)20-10-5/h6-13H2,1-5H3,(H2,15,16,17)
InChIKeyNLXGKQOUVWEJPK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.55
Rot. Bonds13

About (2-propyl-2-triethoxysilylpentyl)phosphonic acid

(2-propyl-2-triethoxysilylpentyl)phosphonic acid (PubChem CID 174895590) has the molecular formula C14H33O6PSi and a molecular weight of 356.47 g/mol. Its IUPAC name is (2-propyl-2-triethoxysilylpentyl)phosphonic acid.

Molecular Properties

Compound Name(2-propyl-2-triethoxysilylpentyl)phosphonic acid
PubChem CID174895590
Molecular FormulaC14H33O6PSi
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(2-propyl-2-triethoxysilylpentyl)phosphonic acid
SMILESCCCC(CCC)(CP(=O)(O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H33O6PSi/c1-6-11-14(12-7-2,13-21(15,16)17)22(18-8-3,19-9-4)20-10-5/h6-13H2,1-5H3,(H2,15,16,17)
InChIKeyNLXGKQOUVWEJPK-UHFFFAOYSA-N
XLogP3.55
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(3-ethylhexan-3-yl)silane
CID 175030722
3-ethyl-3-triethoxysilylpentan-1-amine
CID 23083469
[2-[1-ethoxypropyl-(2-methyl-1-phosphonopropan-2-yl)amino]-2-methylpropyl]phosphonic acid
CID 87357786
4-phosphonoheptan-4-ylphosphonic acid
CID 87800528
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
azane;dioxosilane;phosphoric acid;tetraethyl silicate
CID 174880829
1-dimethylphosphorylethyl(triethoxy)silane
CID 175367716
4-triethoxysilylheptane-1,4-diamine
CID 91551145
2,2-diethylhexylphosphonic acid;ethanol
CID 157236281
(2-ethyl-2-triethoxysilylbutyl)-oxido-oxophosphanium
CID 175037304
triethoxy(2-methylnonan-2-yl)silane
CID 18999451
(2-amino-1-hydroxy-2-pentylheptyl)phosphonic acid
CID 87134430

Frequently Asked Questions

What is the IUPAC name of (2-propyl-2-triethoxysilylpentyl)phosphonic acid?
The IUPAC name of (2-propyl-2-triethoxysilylpentyl)phosphonic acid (CID 174895590) is (2-propyl-2-triethoxysilylpentyl)phosphonic acid.
What is the SMILES notation for (2-propyl-2-triethoxysilylpentyl)phosphonic acid?
The canonical SMILES for (2-propyl-2-triethoxysilylpentyl)phosphonic acid is CCCC(CCC)(CP(=O)(O)O)[Si](OCC)(OCC)OCC.
What is the InChIKey of (2-propyl-2-triethoxysilylpentyl)phosphonic acid?
The InChIKey is NLXGKQOUVWEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33O6PSi/c1-6-11-14(12-7-2,13-21(15,16)17)22(18-8-3,19-9-4)20-10-5/h6-13H2,1-5H3,(H2,15,16,17).
What are the key properties of (2-propyl-2-triethoxysilylpentyl)phosphonic acid?
(2-propyl-2-triethoxysilylpentyl)phosphonic acid has a molecular weight of 356.47 g/mol, XLogP of 3.55, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-2-triethoxysilylpentyl)phosphonic acid is sourced from PubChem (CID 174895590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).