phosphane;6,6,6-triphenylhexanoic acid

C24H27O2P — CID 175595654

IUPACphosphane;6,6,6-triphenylhexanoic acid
SMILESO=C(O)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.P
InChIInChI=1S/C24H24O2.H3P/c25-23(26)18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2,(H,25,26);1H3
InChIKeyZRRQEMNPMUYYMO-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.72
Rot. Bonds8

About phosphane;6,6,6-triphenylhexanoic acid

phosphane;6,6,6-triphenylhexanoic acid (PubChem CID 175595654) has the molecular formula C24H27O2P and a molecular weight of 378.45 g/mol. Its IUPAC name is phosphane;6,6,6-triphenylhexanoic acid.

Molecular Properties

Compound Namephosphane;6,6,6-triphenylhexanoic acid
PubChem CID175595654
Molecular FormulaC24H27O2P
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Namephosphane;6,6,6-triphenylhexanoic acid
SMILESO=C(O)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.P
InChIInChI=1S/C24H24O2.H3P/c25-23(26)18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2,(H,25,26);1H3
InChIKeyZRRQEMNPMUYYMO-UHFFFAOYSA-N
XLogP5.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.72
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-oxo-5,5-diphenyloctanoic acid
CID 19981505
methylidene(8,8,8-triphenyloctanoyl)phosphanium
CID 154191945
2-ethyl-2-phenyldecanedioic acid
CID 159619008
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
13,13,13-triphenyltridecan-1-ol
CID 150406449
4,4,4-triphenylbutanoyl chloride
CID 15254182
5,5,5-tris[3-(aminomethyl)phenyl]pentanoic acid
CID 174747028
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419
CID 123237849
CID 123237849
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619

Frequently Asked Questions

What is the IUPAC name of phosphane;6,6,6-triphenylhexanoic acid?
The IUPAC name of phosphane;6,6,6-triphenylhexanoic acid (CID 175595654) is phosphane;6,6,6-triphenylhexanoic acid.
What is the SMILES notation for phosphane;6,6,6-triphenylhexanoic acid?
The canonical SMILES for phosphane;6,6,6-triphenylhexanoic acid is O=C(O)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.P.
What is the InChIKey of phosphane;6,6,6-triphenylhexanoic acid?
The InChIKey is ZRRQEMNPMUYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2.H3P/c25-23(26)18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2,(H,25,26);1H3.
What are the key properties of phosphane;6,6,6-triphenylhexanoic acid?
phosphane;6,6,6-triphenylhexanoic acid has a molecular weight of 378.45 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;6,6,6-triphenylhexanoic acid is sourced from PubChem (CID 175595654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).