(4-butylphenyl)-ethyl-hexylphosphane

C18H31P — CID 90109509

IUPAC(4-butylphenyl)-ethyl-hexylphosphane
SMILESCCCCCCP(CC)c1ccc(CCCC)cc1
InChIInChI=1S/C18H31P/c1-4-7-9-10-16-19(6-3)18-14-12-17(13-15-18)11-8-5-2/h12-15H,4-11,16H2,1-3H3
InChIKeyYQERFGSRYOCCMU-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.74
Rot. Bonds10

About (4-butylphenyl)-ethyl-hexylphosphane

(4-butylphenyl)-ethyl-hexylphosphane (PubChem CID 90109509) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is (4-butylphenyl)-ethyl-hexylphosphane.

Molecular Properties

Compound Name(4-butylphenyl)-ethyl-hexylphosphane
PubChem CID90109509
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(4-butylphenyl)-ethyl-hexylphosphane
SMILESCCCCCCP(CC)c1ccc(CCCC)cc1
InChIInChI=1S/C18H31P/c1-4-7-9-10-16-19(6-3)18-14-12-17(13-15-18)11-8-5-2/h12-15H,4-11,16H2,1-3H3
InChIKeyYQERFGSRYOCCMU-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.74
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

1-butyl-4-nonylbenzene
CID 59545302
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
dichloro-(4-dodecylphenyl)phosphane
CID 19011054
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
butyl-(4-butylphenyl)-cyclohexylphosphane
CID 90108385

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-ethyl-hexylphosphane?
The IUPAC name of (4-butylphenyl)-ethyl-hexylphosphane (CID 90109509) is (4-butylphenyl)-ethyl-hexylphosphane.
What is the SMILES notation for (4-butylphenyl)-ethyl-hexylphosphane?
The canonical SMILES for (4-butylphenyl)-ethyl-hexylphosphane is CCCCCCP(CC)c1ccc(CCCC)cc1.
What is the InChIKey of (4-butylphenyl)-ethyl-hexylphosphane?
The InChIKey is YQERFGSRYOCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-4-7-9-10-16-19(6-3)18-14-12-17(13-15-18)11-8-5-2/h12-15H,4-11,16H2,1-3H3.
What are the key properties of (4-butylphenyl)-ethyl-hexylphosphane?
(4-butylphenyl)-ethyl-hexylphosphane has a molecular weight of 278.42 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-ethyl-hexylphosphane is sourced from PubChem (CID 90109509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).