bis(2,3-dimethylphenyl)-octylphosphane

C24H35P — CID 161297882

IUPACbis(2,3-dimethylphenyl)-octylphosphane
SMILESCCCCCCCCP(c1cccc(C)c1C)c1cccc(C)c1C
InChIInChI=1S/C24H35P/c1-6-7-8-9-10-11-18-25(23-16-12-14-19(2)21(23)4)24-17-13-15-20(3)22(24)5/h12-17H,6-11,18H2,1-5H3
InChIKeyVHFHFIWURBUWBV-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.71
Rot. Bonds9

About bis(2,3-dimethylphenyl)-octylphosphane

bis(2,3-dimethylphenyl)-octylphosphane (PubChem CID 161297882) has the molecular formula C24H35P and a molecular weight of 354.52 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl)-octylphosphane.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl)-octylphosphane
PubChem CID161297882
Molecular FormulaC24H35P
Molecular Weight354.52 g/mol
Exact Mass354.25
IUPAC Namebis(2,3-dimethylphenyl)-octylphosphane
SMILESCCCCCCCCP(c1cccc(C)c1C)c1cccc(C)c1C
InChIInChI=1S/C24H35P/c1-6-7-8-9-10-11-18-25(23-16-12-14-19(2)21(23)4)24-17-13-15-20(3)22(24)5/h12-17H,6-11,18H2,1-5H3
InChIKeyVHFHFIWURBUWBV-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.71
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)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
CID 90108443
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
hexane;1,2,3-trimethylbenzene
CID 159405289
(2-methylphenyl)-dioctylphosphane
CID 70128590
1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
CID 90109151
benzyl-bis(2,3-dimethylphenyl)phosphane
CID 118892814
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
butan-1-ol;1,2,3-trimethylbenzene
CID 174803565

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylphenyl)-octylphosphane?
The IUPAC name of bis(2,3-dimethylphenyl)-octylphosphane (CID 161297882) is bis(2,3-dimethylphenyl)-octylphosphane.
What is the SMILES notation for bis(2,3-dimethylphenyl)-octylphosphane?
The canonical SMILES for bis(2,3-dimethylphenyl)-octylphosphane is CCCCCCCCP(c1cccc(C)c1C)c1cccc(C)c1C.
What is the InChIKey of bis(2,3-dimethylphenyl)-octylphosphane?
The InChIKey is VHFHFIWURBUWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35P/c1-6-7-8-9-10-11-18-25(23-16-12-14-19(2)21(23)4)24-17-13-15-20(3)22(24)5/h12-17H,6-11,18H2,1-5H3.
What are the key properties of bis(2,3-dimethylphenyl)-octylphosphane?
bis(2,3-dimethylphenyl)-octylphosphane has a molecular weight of 354.52 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl)-octylphosphane is sourced from PubChem (CID 161297882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).