(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide

C13H30IP — CID 173445648

IUPAC(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide
SMILESCCCC(CC)C(P)(CCC)CCC.I
InChIInChI=1S/C13H29P.HI/c1-5-9-12(8-4)13(14,10-6-2)11-7-3;/h12H,5-11,14H2,1-4H3;1H
InChIKeySPFNSWHDZCBBLZ-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.64
Rot. Bonds8

About (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide

(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide (PubChem CID 173445648) has the molecular formula C13H30IP and a molecular weight of 344.26 g/mol. Its IUPAC name is (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide.

Molecular Properties

Compound Name(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide
PubChem CID173445648
Molecular FormulaC13H30IP
Molecular Weight344.26 g/mol
Exact Mass344.11
IUPAC Name(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide
SMILESCCCC(CC)C(P)(CCC)CCC.I
InChIInChI=1S/C13H29P.HI/c1-5-9-12(8-4)13(14,10-6-2)11-7-3;/h12H,5-11,14H2,1-4H3;1H
InChIKeySPFNSWHDZCBBLZ-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.64
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

3,4-diethylheptan-3-ylphosphane;hydrobromide
CID 173000977
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3-ethyl-2,2-difluorohexane
CID 155700319
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide?
The IUPAC name of (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide (CID 173445648) is (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide.
What is the SMILES notation for (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide?
The canonical SMILES for (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide is CCCC(CC)C(P)(CCC)CCC.I.
What is the InChIKey of (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide?
The InChIKey is SPFNSWHDZCBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P.HI/c1-5-9-12(8-4)13(14,10-6-2)11-7-3;/h12H,5-11,14H2,1-4H3;1H.
What are the key properties of (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide?
(5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide has a molecular weight of 344.26 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-propyloctan-4-yl)phosphane;hydroiodide is sourced from PubChem (CID 173445648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).