(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane

C19H26P2 — CID 87561921

IUPAC(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane
SMILESCCC(C)(CC)C(Pc1ccccc1)Pc1ccccc1
InChIInChI=1S/C19H26P2/c1-4-19(3,5-2)18(20-16-12-8-6-9-13-16)21-17-14-10-7-11-15-17/h6-15,18,20-21H,4-5H2,1-3H3
InChIKeyMLGKYEBLGAYVBQ-UHFFFAOYSA-N
MW316.37 g/mol
LogP5.15
Rot. Bonds7

About (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane

(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane (PubChem CID 87561921) has the molecular formula C19H26P2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane.

Molecular Properties

Compound Name(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane
PubChem CID87561921
Molecular FormulaC19H26P2
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane
SMILESCCC(C)(CC)C(Pc1ccccc1)Pc1ccccc1
InChIInChI=1S/C19H26P2/c1-4-19(3,5-2)18(20-16-12-8-6-9-13-16)21-17-14-10-7-11-15-17/h6-15,18,20-21H,4-5H2,1-3H3
InChIKeyMLGKYEBLGAYVBQ-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 55.15
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

butane;phenylphosphinous acid
CID 70542931
[1-[2,3-bis(2,2-dimethyl-1-phenylphosphanylpropyl)phenyl]-2,2-dimethylpropyl]-phenylphosphane
CID 169086026
diphenyl(1-phenylphosphanylpropyl)phosphane
CID 173220506
(2,2-dimethyl-3-phenylphosphanylpropyl)-phenylphosphane
CID 87575767
2,2-bis(phenylphosphanyl)ethanamine
CID 166453804
phenyl(1-phenylphosphanylpentan-2-yl)phosphane
CID 174948215
butane;dichloronickel;diphenylphosphane
CID 160852831
bis(diphenylphosphane);ethanol
CID 175242741
diphenylphosphane;ethylphosphane
CID 158116406
1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride
CID 173459129
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane?
The IUPAC name of (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane (CID 87561921) is (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane.
What is the SMILES notation for (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane?
The canonical SMILES for (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane is CCC(C)(CC)C(Pc1ccccc1)Pc1ccccc1.
What is the InChIKey of (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane?
The InChIKey is MLGKYEBLGAYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26P2/c1-4-19(3,5-2)18(20-16-12-8-6-9-13-16)21-17-14-10-7-11-15-17/h6-15,18,20-21H,4-5H2,1-3H3.
What are the key properties of (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane?
(2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane has a molecular weight of 316.37 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methyl-1-phenylphosphanylbutyl)-phenylphosphane is sourced from PubChem (CID 87561921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).