4-(4-hexylphenyl)butyl-dimethylphosphane

C18H31P — CID 142018377

IUPAC4-(4-hexylphenyl)butyl-dimethylphosphane
SMILESCCCCCCc1ccc(CCCCP(C)C)cc1
InChIInChI=1S/C18H31P/c1-4-5-6-7-10-17-12-14-18(15-13-17)11-8-9-16-19(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeySCYLWAFCQDYTLJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.87
Rot. Bonds10

About 4-(4-hexylphenyl)butyl-dimethylphosphane

4-(4-hexylphenyl)butyl-dimethylphosphane (PubChem CID 142018377) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(4-hexylphenyl)butyl-dimethylphosphane.

Molecular Properties

Compound Name4-(4-hexylphenyl)butyl-dimethylphosphane
PubChem CID142018377
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name4-(4-hexylphenyl)butyl-dimethylphosphane
SMILESCCCCCCc1ccc(CCCCP(C)C)cc1
InChIInChI=1S/C18H31P/c1-4-5-6-7-10-17-12-14-18(15-13-17)11-8-9-16-19(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeySCYLWAFCQDYTLJ-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
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
dimethyl(7-phenylheptyl)phosphane;hydrochloride
CID 173157497
heptyl(dimethyl)phosphane
CID 18386855
dimethyl(4-phenylbutyl)phosphane
CID 67540805
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
1-methyl-4-octylbenzene
CID 11052746
dodecylbenzene;sulfane
CID 20560423
(4-butylphenyl)-ethyl-hexylphosphane
CID 90109509
CID 59759292
CID 59759292
1-(2-bromoethyl)-4-decylbenzene
CID 70453406

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenyl)butyl-dimethylphosphane?
The IUPAC name of 4-(4-hexylphenyl)butyl-dimethylphosphane (CID 142018377) is 4-(4-hexylphenyl)butyl-dimethylphosphane.
What is the SMILES notation for 4-(4-hexylphenyl)butyl-dimethylphosphane?
The canonical SMILES for 4-(4-hexylphenyl)butyl-dimethylphosphane is CCCCCCc1ccc(CCCCP(C)C)cc1.
What is the InChIKey of 4-(4-hexylphenyl)butyl-dimethylphosphane?
The InChIKey is SCYLWAFCQDYTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-4-5-6-7-10-17-12-14-18(15-13-17)11-8-9-16-19(2)3/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 4-(4-hexylphenyl)butyl-dimethylphosphane?
4-(4-hexylphenyl)butyl-dimethylphosphane has a molecular weight of 278.42 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenyl)butyl-dimethylphosphane is sourced from PubChem (CID 142018377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).