5-butylnonan-5-ylphosphane;phosphane;hydroiodide

C13H33IP2 — CID 174377690

IUPAC5-butylnonan-5-ylphosphane;phosphane;hydroiodide
SMILESCCCCC(P)(CCCC)CCCC.I.P
InChIInChI=1S/C13H29P.HI.H3P/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;;/h4-12,14H2,1-3H3;1H;1H3
InChIKeyYIONUEMQBOITAB-UHFFFAOYSA-N
MW378.26 g/mol
LogP5.85
Rot. Bonds9

About 5-butylnonan-5-ylphosphane;phosphane;hydroiodide

5-butylnonan-5-ylphosphane;phosphane;hydroiodide (PubChem CID 174377690) has the molecular formula C13H33IP2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 5-butylnonan-5-ylphosphane;phosphane;hydroiodide.

Molecular Properties

Compound Name5-butylnonan-5-ylphosphane;phosphane;hydroiodide
PubChem CID174377690
Molecular FormulaC13H33IP2
Molecular Weight378.26 g/mol
Exact Mass378.11
IUPAC Name5-butylnonan-5-ylphosphane;phosphane;hydroiodide
SMILESCCCCC(P)(CCCC)CCCC.I.P
InChIInChI=1S/C13H29P.HI.H3P/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;;/h4-12,14H2,1-3H3;1H;1H3
InChIKeyYIONUEMQBOITAB-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-butylnonan-5-ylphosphane;phosphane;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butyltridecan-7-ylphosphane
CID 118892798
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
12-undecyltricosan-12-ylphosphane
CID 21324491
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
butyl-bis(2-butyl-2-phosphanylhexyl)phosphane
CID 90112453
2-pentyl-2-phosphanylpropane-1,3-diol
CID 87113603
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(2-benzyl-1-phenylhexan-2-yl)phosphane
CID 118892765
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
(4-phosphanyl-4-propylheptyl)-propylphosphane
CID 174916546
3-ethylpentan-3-ylphosphane;tetrabutylphosphanium
CID 88610668

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-ylphosphane;phosphane;hydroiodide?
The IUPAC name of 5-butylnonan-5-ylphosphane;phosphane;hydroiodide (CID 174377690) is 5-butylnonan-5-ylphosphane;phosphane;hydroiodide.
What is the SMILES notation for 5-butylnonan-5-ylphosphane;phosphane;hydroiodide?
The canonical SMILES for 5-butylnonan-5-ylphosphane;phosphane;hydroiodide is CCCCC(P)(CCCC)CCCC.I.P.
What is the InChIKey of 5-butylnonan-5-ylphosphane;phosphane;hydroiodide?
The InChIKey is YIONUEMQBOITAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P.HI.H3P/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;;/h4-12,14H2,1-3H3;1H;1H3.
What are the key properties of 5-butylnonan-5-ylphosphane;phosphane;hydroiodide?
5-butylnonan-5-ylphosphane;phosphane;hydroiodide has a molecular weight of 378.26 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-ylphosphane;phosphane;hydroiodide is sourced from PubChem (CID 174377690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).