11-methoxysilylundecylphosphonic acid

C12H29O4PSi — CID 123212644

IUPAC11-methoxysilylundecylphosphonic acid
SMILESCO[SiH2]CCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C12H29O4PSi/c1-16-18-12-10-8-6-4-2-3-5-7-9-11-17(13,14)15/h2-12,18H2,1H3,(H2,13,14,15)
InChIKeyHVJQJIIWIZPRSS-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.82
Rot. Bonds13

About 11-methoxysilylundecylphosphonic acid

11-methoxysilylundecylphosphonic acid (PubChem CID 123212644) has the molecular formula C12H29O4PSi and a molecular weight of 296.42 g/mol. Its IUPAC name is 11-methoxysilylundecylphosphonic acid.

Molecular Properties

Compound Name11-methoxysilylundecylphosphonic acid
PubChem CID123212644
Molecular FormulaC12H29O4PSi
Molecular Weight296.42 g/mol
Exact Mass296.16
IUPAC Name11-methoxysilylundecylphosphonic acid
SMILESCO[SiH2]CCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C12H29O4PSi/c1-16-18-12-10-8-6-4-2-3-5-7-9-11-17(13,14)15/h2-12,18H2,1H3,(H2,13,14,15)
InChIKeyHVJQJIIWIZPRSS-UHFFFAOYSA-N
XLogP2.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-phosphonopentylphosphonic acid
CID 2773804
hexylphosphonic acid;octylphosphonic acid
CID 155346901
2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid
CID 123636694
8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
CID 123132067
octadecylphosphonic acid;zirconium
CID 87308115
dodecylphosphonic acid;phosphoric acid
CID 88779225
CID 86733794
CID 86733794
potassium;hexadecylphosphonic acid;hydride
CID 175356287
9-ethoxynonylphosphonic acid
CID 102391475
methoxyethane;5-methoxysilylpentan-1-ol
CID 123973970
azane;pentylphosphonic acid
CID 173073704
10-iododecylphosphonic acid
CID 87686645

Frequently Asked Questions

What is the IUPAC name of 11-methoxysilylundecylphosphonic acid?
The IUPAC name of 11-methoxysilylundecylphosphonic acid (CID 123212644) is 11-methoxysilylundecylphosphonic acid.
What is the SMILES notation for 11-methoxysilylundecylphosphonic acid?
The canonical SMILES for 11-methoxysilylundecylphosphonic acid is CO[SiH2]CCCCCCCCCCCP(=O)(O)O.
What is the InChIKey of 11-methoxysilylundecylphosphonic acid?
The InChIKey is HVJQJIIWIZPRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O4PSi/c1-16-18-12-10-8-6-4-2-3-5-7-9-11-17(13,14)15/h2-12,18H2,1H3,(H2,13,14,15).
What are the key properties of 11-methoxysilylundecylphosphonic acid?
11-methoxysilylundecylphosphonic acid has a molecular weight of 296.42 g/mol, XLogP of 2.82, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxysilylundecylphosphonic acid is sourced from PubChem (CID 123212644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).