10-diphenylphosphanyldecanoic acid

C22H29O2P — CID 71402645

IUPAC10-diphenylphosphanyldecanoic acid
SMILESO=C(O)CCCCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29O2P/c23-22(24)18-12-4-2-1-3-5-13-19-25(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17H,1-5,12-13,18-19H2,(H,23,24)
InChIKeyQWQQOSJRNKFBBO-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.32
Rot. Bonds12

About 10-diphenylphosphanyldecanoic acid

10-diphenylphosphanyldecanoic acid (PubChem CID 71402645) has the molecular formula C22H29O2P and a molecular weight of 356.45 g/mol. Its IUPAC name is 10-diphenylphosphanyldecanoic acid.

Molecular Properties

Compound Name10-diphenylphosphanyldecanoic acid
PubChem CID71402645
Molecular FormulaC22H29O2P
Molecular Weight356.45 g/mol
Exact Mass356.19
IUPAC Name10-diphenylphosphanyldecanoic acid
SMILESO=C(O)CCCCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29O2P/c23-22(24)18-12-4-2-1-3-5-13-19-25(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17H,1-5,12-13,18-19H2,(H,23,24)
InChIKeyQWQQOSJRNKFBBO-UHFFFAOYSA-N
XLogP5.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-diphenylphosphanyldecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-diphenylphosphanyloctanoic acid
CID 20679688
decanedioic acid;phthalic acid
CID 67564124
octanoic acid;triphenylphosphane;hydrobromide
CID 173304615
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
1,7-bis(diphenylphosphanyl)heptane-1,7-dione
CID 13144223
15-phenylpentadecanoic acid
CID 2737151
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylacetic acid);nickel
CID 156635270
benzenethiol;hexanedioic acid
CID 70583090

Frequently Asked Questions

What is the IUPAC name of 10-diphenylphosphanyldecanoic acid?
The IUPAC name of 10-diphenylphosphanyldecanoic acid (CID 71402645) is 10-diphenylphosphanyldecanoic acid.
What is the SMILES notation for 10-diphenylphosphanyldecanoic acid?
The canonical SMILES for 10-diphenylphosphanyldecanoic acid is O=C(O)CCCCCCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-diphenylphosphanyldecanoic acid?
The InChIKey is QWQQOSJRNKFBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O2P/c23-22(24)18-12-4-2-1-3-5-13-19-25(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17H,1-5,12-13,18-19H2,(H,23,24).
What are the key properties of 10-diphenylphosphanyldecanoic acid?
10-diphenylphosphanyldecanoic acid has a molecular weight of 356.45 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-diphenylphosphanyldecanoic acid is sourced from PubChem (CID 71402645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).