(4-phosphanyl-4-propylheptyl)-propylphosphane

C13H30P2 — CID 174916546

IUPAC(4-phosphanyl-4-propylheptyl)-propylphosphane
SMILESCCCPCCCC(P)(CCC)CCC
InChIInChI=1S/C13H30P2/c1-4-8-13(14,9-5-2)10-7-12-15-11-6-3/h15H,4-12,14H2,1-3H3
InChIKeyBGYYBOUCDYTMEV-UHFFFAOYSA-N
MW248.33 g/mol
LogP5.07
Rot. Bonds10

About (4-phosphanyl-4-propylheptyl)-propylphosphane

(4-phosphanyl-4-propylheptyl)-propylphosphane (PubChem CID 174916546) has the molecular formula C13H30P2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-phosphanyl-4-propylheptyl)-propylphosphane.

Molecular Properties

Compound Name(4-phosphanyl-4-propylheptyl)-propylphosphane
PubChem CID174916546
Molecular FormulaC13H30P2
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Name(4-phosphanyl-4-propylheptyl)-propylphosphane
SMILESCCCPCCCC(P)(CCC)CCC
InChIInChI=1S/C13H30P2/c1-4-8-13(14,9-5-2)10-7-12-15-11-6-3/h15H,4-12,14H2,1-3H3
InChIKeyBGYYBOUCDYTMEV-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.33
LogP ≤ 55.07
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

dipropylphosphane
CID 12057559
butyl(propyl)phosphane;methane
CID 158586194
hexadecyl(propyl)phosphane
CID 158670728
5-butylnonan-5-ylphosphane;phosphane;hydroiodide
CID 174377690
12-undecyltricosan-12-ylphosphane
CID 21324491
7-butyltridecan-7-ylphosphane
CID 118892798
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
sodium;dipropylphosphane;hydride
CID 175309333
dipentylphosphane
CID 11105867
decyl(undecyl)phosphane
CID 87830755

Frequently Asked Questions

What is the IUPAC name of (4-phosphanyl-4-propylheptyl)-propylphosphane?
The IUPAC name of (4-phosphanyl-4-propylheptyl)-propylphosphane (CID 174916546) is (4-phosphanyl-4-propylheptyl)-propylphosphane.
What is the SMILES notation for (4-phosphanyl-4-propylheptyl)-propylphosphane?
The canonical SMILES for (4-phosphanyl-4-propylheptyl)-propylphosphane is CCCPCCCC(P)(CCC)CCC.
What is the InChIKey of (4-phosphanyl-4-propylheptyl)-propylphosphane?
The InChIKey is BGYYBOUCDYTMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P2/c1-4-8-13(14,9-5-2)10-7-12-15-11-6-3/h15H,4-12,14H2,1-3H3.
What are the key properties of (4-phosphanyl-4-propylheptyl)-propylphosphane?
(4-phosphanyl-4-propylheptyl)-propylphosphane has a molecular weight of 248.33 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phosphanyl-4-propylheptyl)-propylphosphane is sourced from PubChem (CID 174916546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).