4,4-diethylnonan-5-ylphosphane

C13H29P — CID 87508109

IUPAC4,4-diethylnonan-5-ylphosphane
SMILESCCCCC(P)C(CC)(CC)CCC
InChIInChI=1S/C13H29P/c1-5-9-10-12(14)13(7-3,8-4)11-6-2/h12H,5-11,14H2,1-4H3
InChIKeyUNUUVAXKIZIWDJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP5.03
Rot. Bonds8

About 4,4-diethylnonan-5-ylphosphane

4,4-diethylnonan-5-ylphosphane (PubChem CID 87508109) has the molecular formula C13H29P and a molecular weight of 216.35 g/mol. Its IUPAC name is 4,4-diethylnonan-5-ylphosphane.

Molecular Properties

Compound Name4,4-diethylnonan-5-ylphosphane
PubChem CID87508109
Molecular FormulaC13H29P
Molecular Weight216.35 g/mol
Exact Mass216.20
IUPAC Name4,4-diethylnonan-5-ylphosphane
SMILESCCCCC(P)C(CC)(CC)CCC
InChIInChI=1S/C13H29P/c1-5-9-10-12(14)13(7-3,8-4)11-6-2/h12H,5-11,14H2,1-4H3
InChIKeyUNUUVAXKIZIWDJ-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.35
LogP ≤ 55.03
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

4,4-dimethyldocosan-5-ylphosphane
CID 87753926
3-ethylpentan-3-ylphosphane;tetrabutylphosphanium
CID 88610668
methanol;1-phosphanylpentan-1-ol
CID 89485720
2,2-diethyloctane-1,1-diol
CID 18324063
4,4-diethyl-3-methylheptane
CID 53425832
4-(diisocyanatomethyl)-4-ethyloctane
CID 141236958
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
3,3-diethyl-2-methyldodecane
CID 151072312
4,4-dimethylnonan-5-amine
CID 87513740
2-butylpropanedithial
CID 57039240
heptan-3-ylphosphane;yttrium
CID 87745018
(7S)-5,7-dimethyl-5-propylundecane
CID 175363506

Frequently Asked Questions

What is the IUPAC name of 4,4-diethylnonan-5-ylphosphane?
The IUPAC name of 4,4-diethylnonan-5-ylphosphane (CID 87508109) is 4,4-diethylnonan-5-ylphosphane.
What is the SMILES notation for 4,4-diethylnonan-5-ylphosphane?
The canonical SMILES for 4,4-diethylnonan-5-ylphosphane is CCCCC(P)C(CC)(CC)CCC.
What is the InChIKey of 4,4-diethylnonan-5-ylphosphane?
The InChIKey is UNUUVAXKIZIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P/c1-5-9-10-12(14)13(7-3,8-4)11-6-2/h12H,5-11,14H2,1-4H3.
What are the key properties of 4,4-diethylnonan-5-ylphosphane?
4,4-diethylnonan-5-ylphosphane has a molecular weight of 216.35 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethylnonan-5-ylphosphane is sourced from PubChem (CID 87508109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).