(2-methylphenyl)-dioctylphosphane

C23H41P — CID 70128590

IUPAC(2-methylphenyl)-dioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)c1ccccc1C
InChIInChI=1S/C23H41P/c1-4-6-8-10-12-16-20-24(21-17-13-11-9-7-5-2)23-19-15-14-18-22(23)3/h14-15,18-19H,4-13,16-17,20-21H2,1-3H3
InChIKeyWDACQVPFMPTVEA-UHFFFAOYSA-N
MW348.56 g/mol
LogP7.82
Rot. Bonds15

About (2-methylphenyl)-dioctylphosphane

(2-methylphenyl)-dioctylphosphane (PubChem CID 70128590) has the molecular formula C23H41P and a molecular weight of 348.56 g/mol. Its IUPAC name is (2-methylphenyl)-dioctylphosphane.

Molecular Properties

Compound Name(2-methylphenyl)-dioctylphosphane
PubChem CID70128590
Molecular FormulaC23H41P
Molecular Weight348.56 g/mol
Exact Mass348.29
IUPAC Name(2-methylphenyl)-dioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)c1ccccc1C
InChIInChI=1S/C23H41P/c1-4-6-8-10-12-16-20-24(21-17-13-11-9-7-5-2)23-19-15-14-18-22(23)3/h14-15,18-19H,4-13,16-17,20-21H2,1-3H3
InChIKeyWDACQVPFMPTVEA-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
dipentyl(phenyl)phosphane
CID 3085487
tetrabutylazanium;1,2-xylene
CID 69453766
3-dihexylphosphanyl-N-methylpyridin-2-amine
CID 151750549
butoxy-bis(2-methylphenyl)phosphane
CID 175546633
decane;sulfane;toluene
CID 157105742
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-dioctylphosphane?
The IUPAC name of (2-methylphenyl)-dioctylphosphane (CID 70128590) is (2-methylphenyl)-dioctylphosphane.
What is the SMILES notation for (2-methylphenyl)-dioctylphosphane?
The canonical SMILES for (2-methylphenyl)-dioctylphosphane is CCCCCCCCP(CCCCCCCC)c1ccccc1C.
What is the InChIKey of (2-methylphenyl)-dioctylphosphane?
The InChIKey is WDACQVPFMPTVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41P/c1-4-6-8-10-12-16-20-24(21-17-13-11-9-7-5-2)23-19-15-14-18-22(23)3/h14-15,18-19H,4-13,16-17,20-21H2,1-3H3.
What are the key properties of (2-methylphenyl)-dioctylphosphane?
(2-methylphenyl)-dioctylphosphane has a molecular weight of 348.56 g/mol, XLogP of 7.82, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-dioctylphosphane is sourced from PubChem (CID 70128590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).