hexyl-(2,3,4-trimethylphenyl)phosphane

C15H25P — CID 90109528

IUPAChexyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCCPc1ccc(C)c(C)c1C
InChIInChI=1S/C15H25P/c1-5-6-7-8-11-16-15-10-9-12(2)13(3)14(15)4/h9-10,16H,5-8,11H2,1-4H3
InChIKeyJRIPUCYBVQXPDK-UHFFFAOYSA-N
MW236.34 g/mol
LogP4.50
Rot. Bonds6

About hexyl-(2,3,4-trimethylphenyl)phosphane

hexyl-(2,3,4-trimethylphenyl)phosphane (PubChem CID 90109528) has the molecular formula C15H25P and a molecular weight of 236.34 g/mol. Its IUPAC name is hexyl-(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Namehexyl-(2,3,4-trimethylphenyl)phosphane
PubChem CID90109528
Molecular FormulaC15H25P
Molecular Weight236.34 g/mol
Exact Mass236.17
IUPAC Namehexyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCCPc1ccc(C)c(C)c1C
InChIInChI=1S/C15H25P/c1-5-6-7-8-11-16-15-10-9-12(2)13(3)14(15)4/h9-10,16H,5-8,11H2,1-4H3
InChIKeyJRIPUCYBVQXPDK-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 54.50
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)-heptylphosphane
CID 150201663
(4-methylphenyl)-octylphosphane
CID 21096786
decyl-(2,4,6-trimethylphenyl)phosphane
CID 69424969
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
hexane;1,2,3-trimethylbenzene
CID 159405289
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
(2-pentylphosphanylphenyl)methanamine
CID 151860169
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
1-bromo-3,4-dimethyl-2-octylbenzene
CID 174984936

Frequently Asked Questions

What is the IUPAC name of hexyl-(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of hexyl-(2,3,4-trimethylphenyl)phosphane (CID 90109528) is hexyl-(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for hexyl-(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for hexyl-(2,3,4-trimethylphenyl)phosphane is CCCCCCPc1ccc(C)c(C)c1C.
What is the InChIKey of hexyl-(2,3,4-trimethylphenyl)phosphane?
The InChIKey is JRIPUCYBVQXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25P/c1-5-6-7-8-11-16-15-10-9-12(2)13(3)14(15)4/h9-10,16H,5-8,11H2,1-4H3.
What are the key properties of hexyl-(2,3,4-trimethylphenyl)phosphane?
hexyl-(2,3,4-trimethylphenyl)phosphane has a molecular weight of 236.34 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90109528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).