6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid

C26H55O2P — CID 175725227

IUPAC6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
SMILESCCCCC(C)(C)C(=O)O.CCCCC(CCCC)(CCCC)CCCCCP
InChIInChI=1S/C18H39P.C8H16O2/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17-19;1-4-5-6-8(2,3)7(9)10/h4-17,19H2,1-3H3;4-6H2,1-3H3,(H,9,10)
InChIKeyLFPHPURWGVUVKR-UHFFFAOYSA-N
MW430.70 g/mol
LogP9.27
Rot. Bonds18

About 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid

6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid (PubChem CID 175725227) has the molecular formula C26H55O2P and a molecular weight of 430.70 g/mol. Its IUPAC name is 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
PubChem CID175725227
Molecular FormulaC26H55O2P
Molecular Weight430.70 g/mol
Exact Mass430.39
IUPAC Name6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
SMILESCCCCC(C)(C)C(=O)O.CCCCC(CCCC)(CCCC)CCCCCP
InChIInChI=1S/C18H39P.C8H16O2/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17-19;1-4-5-6-8(2,3)7(9)10/h4-17,19H2,1-3H3;4-6H2,1-3H3,(H,9,10)
InChIKeyLFPHPURWGVUVKR-UHFFFAOYSA-N
XLogP9.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.70
LogP ≤ 59.27
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 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic 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

2,2-dimethyldocosanoic acid
CID 23471202
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
7-methoxy-2,2-dimethylundecanoic acid
CID 88582161
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
8-chloro-2,2-dimethyloctanoic acid
CID 88681870
2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
CID 21225473
10,10-dibutylicosane
CID 151498539

Frequently Asked Questions

What is the IUPAC name of 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid?
The IUPAC name of 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid (CID 175725227) is 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid.
What is the SMILES notation for 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid?
The canonical SMILES for 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid is CCCCC(C)(C)C(=O)O.CCCCC(CCCC)(CCCC)CCCCCP.
What is the InChIKey of 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid?
The InChIKey is LFPHPURWGVUVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P.C8H16O2/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17-19;1-4-5-6-8(2,3)7(9)10/h4-17,19H2,1-3H3;4-6H2,1-3H3,(H,9,10).
What are the key properties of 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid?
6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid has a molecular weight of 430.70 g/mol, XLogP of 9.27, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid is sourced from PubChem (CID 175725227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).