[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane

C22H49P3 — CID 90111416

IUPAC[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
SMILESCCCCC(CC)C(P)(CC)C(C)(P)C(P)(CC)C(CC)CCCC
InChIInChI=1S/C22H49P3/c1-8-14-16-18(10-3)21(24,12-5)20(7,23)22(25,13-6)19(11-4)17-15-9-2/h18-19H,8-17,23-25H2,1-7H3
InChIKeyNQEJSALGSJXCKW-UHFFFAOYSA-N
MW406.56 g/mol
LogP8.10
Rot. Bonds14

About [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane

[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane (PubChem CID 90111416) has the molecular formula C22H49P3 and a molecular weight of 406.56 g/mol. Its IUPAC name is [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane.

Molecular Properties

Compound Name[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
PubChem CID90111416
Molecular FormulaC22H49P3
Molecular Weight406.56 g/mol
Exact Mass406.30
IUPAC Name[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
SMILESCCCCC(CC)C(P)(CC)C(C)(P)C(P)(CC)C(CC)CCCC
InChIInChI=1S/C22H49P3/c1-8-14-16-18(10-3)21(24,12-5)20(7,23)22(25,13-6)19(11-4)17-15-9-2/h18-19H,8-17,23-25H2,1-7H3
InChIKeyNQEJSALGSJXCKW-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
3-ethyl-2,2-dimethylheptane
CID 20686447
3,3-dimethyl-4-propyloctane
CID 57491237
2-chloro-3-ethyl-2-methylheptane
CID 141208623
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
tris(3,4-diethyloctan-3-yloxy)alumane
CID 141326405
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604

Frequently Asked Questions

What is the IUPAC name of [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane?
The IUPAC name of [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane (CID 90111416) is [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane.
What is the SMILES notation for [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane?
The canonical SMILES for [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane is CCCCC(CC)C(P)(CC)C(C)(P)C(P)(CC)C(CC)CCCC.
What is the InChIKey of [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane?
The InChIKey is NQEJSALGSJXCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49P3/c1-8-14-16-18(10-3)21(24,12-5)20(7,23)22(25,13-6)19(11-4)17-15-9-2/h18-19H,8-17,23-25H2,1-7H3.
What are the key properties of [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane?
[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane has a molecular weight of 406.56 g/mol, XLogP of 8.10, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane is sourced from PubChem (CID 90111416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).