(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane

C22H31P — CID 90110620

IUPAC(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCP(c1cccc(C)c1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C22H31P/c1-7-8-9-15-23(21-12-10-11-16(2)19(21)5)22-14-13-17(3)18(4)20(22)6/h10-14H,7-9,15H2,1-6H3
InChIKeyXHCRWIFKFJSQRT-UHFFFAOYSA-N
MW326.46 g/mol
LogP5.85
Rot. Bonds6

About (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane

(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane (PubChem CID 90110620) has the molecular formula C22H31P and a molecular weight of 326.46 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
PubChem CID90110620
Molecular FormulaC22H31P
Molecular Weight326.46 g/mol
Exact Mass326.22
IUPAC Name(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCP(c1cccc(C)c1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C22H31P/c1-7-8-9-15-23(21-12-10-11-16(2)19(21)5)22-14-13-17(3)18(4)20(22)6/h10-14H,7-9,15H2,1-6H3
InChIKeyXHCRWIFKFJSQRT-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 55.85
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

bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
CID 90108443
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
hexane;1,2,3-trimethylbenzene
CID 159405289
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
CID 90109151
(2-methylphenyl)-dioctylphosphane
CID 70128590
1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110960
benzyl-bis(2,3-dimethylphenyl)phosphane
CID 118892814
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
CID 90108297

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane (CID 90110620) is (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane is CCCCCP(c1cccc(C)c1C)c1ccc(C)c(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane?
The InChIKey is XHCRWIFKFJSQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31P/c1-7-8-9-15-23(21-12-10-11-16(2)19(21)5)22-14-13-17(3)18(4)20(22)6/h10-14H,7-9,15H2,1-6H3.
What are the key properties of (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane?
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane has a molecular weight of 326.46 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90110620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).