dihexyl(nonan-4-yl)phosphane

C21H45P — CID 172773657

IUPACdihexyl(nonan-4-yl)phosphane
SMILESCCCCCCP(CCCCCC)C(CCC)CCCCC
InChIInChI=1S/C21H45P/c1-5-9-12-15-19-22(20-16-13-10-6-2)21(17-8-4)18-14-11-7-3/h21H,5-20H2,1-4H3
InChIKeyNHIKQISHFRODAT-UHFFFAOYSA-N
MW328.57 g/mol
LogP8.38
Rot. Bonds17

About dihexyl(nonan-4-yl)phosphane

dihexyl(nonan-4-yl)phosphane (PubChem CID 172773657) has the molecular formula C21H45P and a molecular weight of 328.57 g/mol. Its IUPAC name is dihexyl(nonan-4-yl)phosphane.

Molecular Properties

Compound Namedihexyl(nonan-4-yl)phosphane
PubChem CID172773657
Molecular FormulaC21H45P
Molecular Weight328.57 g/mol
Exact Mass328.33
IUPAC Namedihexyl(nonan-4-yl)phosphane
SMILESCCCCCCP(CCCCCC)C(CCC)CCCCC
InChIInChI=1S/C21H45P/c1-5-9-12-15-19-22(20-16-13-10-6-2)21(17-8-4)18-14-11-7-3/h21H,5-20H2,1-4H3
InChIKeyNHIKQISHFRODAT-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 58.38
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

dioctyl(tetracosan-8-yl)phosphane
CID 159416945
dodecan-5-yl(dioctyl)phosphane
CID 172795592
decan-3-yl(dioctyl)phosphane
CID 150488617
diheptyl(pentan-3-yl)phosphane
CID 87508325
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
diethyl(octan-4-yl)phosphane
CID 150705111
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
methyl-di(octan-4-yl)phosphane
CID 22497740

Frequently Asked Questions

What is the IUPAC name of dihexyl(nonan-4-yl)phosphane?
The IUPAC name of dihexyl(nonan-4-yl)phosphane (CID 172773657) is dihexyl(nonan-4-yl)phosphane.
What is the SMILES notation for dihexyl(nonan-4-yl)phosphane?
The canonical SMILES for dihexyl(nonan-4-yl)phosphane is CCCCCCP(CCCCCC)C(CCC)CCCCC.
What is the InChIKey of dihexyl(nonan-4-yl)phosphane?
The InChIKey is NHIKQISHFRODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45P/c1-5-9-12-15-19-22(20-16-13-10-6-2)21(17-8-4)18-14-11-7-3/h21H,5-20H2,1-4H3.
What are the key properties of dihexyl(nonan-4-yl)phosphane?
dihexyl(nonan-4-yl)phosphane has a molecular weight of 328.57 g/mol, XLogP of 8.38, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(nonan-4-yl)phosphane is sourced from PubChem (CID 172773657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).