5,6-dibutyldecan-5-ylphosphane;hydroiodide

C18H40IP — CID 173157800

IUPAC5,6-dibutyldecan-5-ylphosphane;hydroiodide
SMILESCCCCC(CCCC)C(P)(CCCC)CCCC.I
InChIInChI=1S/C18H39P.HI/c1-5-9-13-17(14-10-6-2)18(19,15-11-7-3)16-12-8-4;/h17H,5-16,19H2,1-4H3;1H
InChIKeyVXMHFZHXWBZSJQ-UHFFFAOYSA-N
MW414.40 g/mol
LogP7.60
Rot. Bonds13

About 5,6-dibutyldecan-5-ylphosphane;hydroiodide

5,6-dibutyldecan-5-ylphosphane;hydroiodide (PubChem CID 173157800) has the molecular formula C18H40IP and a molecular weight of 414.40 g/mol. Its IUPAC name is 5,6-dibutyldecan-5-ylphosphane;hydroiodide.

Molecular Properties

Compound Name5,6-dibutyldecan-5-ylphosphane;hydroiodide
PubChem CID173157800
Molecular FormulaC18H40IP
Molecular Weight414.40 g/mol
Exact Mass414.19
IUPAC Name5,6-dibutyldecan-5-ylphosphane;hydroiodide
SMILESCCCCC(CCCC)C(P)(CCCC)CCCC.I
InChIInChI=1S/C18H39P.HI/c1-5-9-13-17(14-10-6-2)18(19,15-11-7-3)16-12-8-4;/h17H,5-16,19H2,1-4H3;1H
InChIKeyVXMHFZHXWBZSJQ-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 57.60
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'}

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Related Compounds

(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
7,8-dihexylicosan-7-ylphosphane
CID 18442252
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164

Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyldecan-5-ylphosphane;hydroiodide?
The IUPAC name of 5,6-dibutyldecan-5-ylphosphane;hydroiodide (CID 173157800) is 5,6-dibutyldecan-5-ylphosphane;hydroiodide.
What is the SMILES notation for 5,6-dibutyldecan-5-ylphosphane;hydroiodide?
The canonical SMILES for 5,6-dibutyldecan-5-ylphosphane;hydroiodide is CCCCC(CCCC)C(P)(CCCC)CCCC.I.
What is the InChIKey of 5,6-dibutyldecan-5-ylphosphane;hydroiodide?
The InChIKey is VXMHFZHXWBZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P.HI/c1-5-9-13-17(14-10-6-2)18(19,15-11-7-3)16-12-8-4;/h17H,5-16,19H2,1-4H3;1H.
What are the key properties of 5,6-dibutyldecan-5-ylphosphane;hydroiodide?
5,6-dibutyldecan-5-ylphosphane;hydroiodide has a molecular weight of 414.40 g/mol, XLogP of 7.60, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyldecan-5-ylphosphane;hydroiodide is sourced from PubChem (CID 173157800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).