dodecan-5-yl(dioctyl)phosphane

C28H59P — CID 172795592

IUPACdodecan-5-yl(dioctyl)phosphane
SMILESCCCCCCCCP(CCCCCCCC)C(CCCC)CCCCCCC
InChIInChI=1S/C28H59P/c1-5-9-13-16-19-22-26-29(27-23-20-17-14-10-6-2)28(24-12-8-4)25-21-18-15-11-7-3/h28H,5-27H2,1-4H3
InChIKeyQDTMZDIANHFAQR-UHFFFAOYSA-N
MW426.75 g/mol
LogP11.11
Rot. Bonds24

About dodecan-5-yl(dioctyl)phosphane

dodecan-5-yl(dioctyl)phosphane (PubChem CID 172795592) has the molecular formula C28H59P and a molecular weight of 426.75 g/mol. Its IUPAC name is dodecan-5-yl(dioctyl)phosphane.

Molecular Properties

Compound Namedodecan-5-yl(dioctyl)phosphane
PubChem CID172795592
Molecular FormulaC28H59P
Molecular Weight426.75 g/mol
Exact Mass426.44
IUPAC Namedodecan-5-yl(dioctyl)phosphane
SMILESCCCCCCCCP(CCCCCCCC)C(CCCC)CCCCCCC
InChIInChI=1S/C28H59P/c1-5-9-13-16-19-22-26-29(27-23-20-17-14-10-6-2)28(24-12-8-4)25-21-18-15-11-7-3/h28H,5-27H2,1-4H3
InChIKeyQDTMZDIANHFAQR-UHFFFAOYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 511.11
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
dihexyl(nonan-4-yl)phosphane
CID 172773657
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
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
diethyl(octan-4-yl)phosphane
CID 150705111
tri(heptadecan-3-yl)phosphane
CID 90112441

Frequently Asked Questions

What is the IUPAC name of dodecan-5-yl(dioctyl)phosphane?
The IUPAC name of dodecan-5-yl(dioctyl)phosphane (CID 172795592) is dodecan-5-yl(dioctyl)phosphane.
What is the SMILES notation for dodecan-5-yl(dioctyl)phosphane?
The canonical SMILES for dodecan-5-yl(dioctyl)phosphane is CCCCCCCCP(CCCCCCCC)C(CCCC)CCCCCCC.
What is the InChIKey of dodecan-5-yl(dioctyl)phosphane?
The InChIKey is QDTMZDIANHFAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59P/c1-5-9-13-16-19-22-26-29(27-23-20-17-14-10-6-2)28(24-12-8-4)25-21-18-15-11-7-3/h28H,5-27H2,1-4H3.
What are the key properties of dodecan-5-yl(dioctyl)phosphane?
dodecan-5-yl(dioctyl)phosphane has a molecular weight of 426.75 g/mol, XLogP of 11.11, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-5-yl(dioctyl)phosphane is sourced from PubChem (CID 172795592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).