(2,3-dimethylphenyl)-dipentylphosphane

C18H31P — CID 90112101

IUPAC(2,3-dimethylphenyl)-dipentylphosphane
SMILESCCCCCP(CCCCC)c1cccc(C)c1C
InChIInChI=1S/C18H31P/c1-5-7-9-14-19(15-10-8-6-2)18-13-11-12-16(3)17(18)4/h11-13H,5-10,14-15H2,1-4H3
InChIKeyQXHXVAACDDGDAA-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.79
Rot. Bonds9

About (2,3-dimethylphenyl)-dipentylphosphane

(2,3-dimethylphenyl)-dipentylphosphane (PubChem CID 90112101) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-dipentylphosphane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-dipentylphosphane
PubChem CID90112101
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(2,3-dimethylphenyl)-dipentylphosphane
SMILESCCCCCP(CCCCC)c1cccc(C)c1C
InChIInChI=1S/C18H31P/c1-5-7-9-14-19(15-10-8-6-2)18-13-11-12-16(3)17(18)4/h11-13H,5-10,14-15H2,1-4H3
InChIKeyQXHXVAACDDGDAA-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.79
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-methylphenyl)-dioctylphosphane
CID 70128590
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
hexane;1,2,3-trimethylbenzene
CID 159405289
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
CID 90109151
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
CID 90108443
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
butan-1-ol;1,2,3-trimethylbenzene
CID 174803565

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-dipentylphosphane?
The IUPAC name of (2,3-dimethylphenyl)-dipentylphosphane (CID 90112101) is (2,3-dimethylphenyl)-dipentylphosphane.
What is the SMILES notation for (2,3-dimethylphenyl)-dipentylphosphane?
The canonical SMILES for (2,3-dimethylphenyl)-dipentylphosphane is CCCCCP(CCCCC)c1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-dipentylphosphane?
The InChIKey is QXHXVAACDDGDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-5-7-9-14-19(15-10-8-6-2)18-13-11-12-16(3)17(18)4/h11-13H,5-10,14-15H2,1-4H3.
What are the key properties of (2,3-dimethylphenyl)-dipentylphosphane?
(2,3-dimethylphenyl)-dipentylphosphane has a molecular weight of 278.42 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-dipentylphosphane is sourced from PubChem (CID 90112101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).