butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane

C13H30P2 — CID 23501471

IUPACbutan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane
SMILESCCC(C)P(CC)CP(CC)C(C)CC
InChIInChI=1S/C13H30P2/c1-7-12(5)14(9-3)11-15(10-4)13(6)8-2/h12-13H,7-11H2,1-6H3
InChIKeyFUSFQNJISJMRII-UHFFFAOYSA-N
MW248.33 g/mol
LogP5.54
Rot. Bonds8

About butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane

butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane (PubChem CID 23501471) has the molecular formula C13H30P2 and a molecular weight of 248.33 g/mol. Its IUPAC name is butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane.

Molecular Properties

Compound Namebutan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane
PubChem CID23501471
Molecular FormulaC13H30P2
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Namebutan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane
SMILESCCC(C)P(CC)CP(CC)C(C)CC
InChIInChI=1S/C13H30P2/c1-7-12(5)14(9-3)11-15(10-4)13(6)8-2/h12-13H,7-11H2,1-6H3
InChIKeyFUSFQNJISJMRII-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.33
LogP ≤ 55.54
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

3-diethylphosphanylbutan-2-yl(diethyl)phosphane
CID 140565151
dimethylphosphanylmethyl-ethyl-propan-2-ylphosphane
CID 155017583
butane-2-tellurol
CID 173009567
2-methylpropyl-[[2-methylpropyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane
CID 23501511
bromo-butan-2-yl-propylphosphane
CID 139995637
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
trilithium;tris(butan-2-olate)
CID 162372928
butan-2-yl-bis(2-methylpentan-2-yl)phosphane
CID 139972821
2-methylbutane;yttrium
CID 157105537
1-[bis(2-methylpropyl)phosphanyl]propyl-bis(2-methylpropyl)phosphane
CID 87563384
2-methylbutane;nickel
CID 159021520

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane?
The IUPAC name of butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane (CID 23501471) is butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane.
What is the SMILES notation for butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane?
The canonical SMILES for butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane is CCC(C)P(CC)CP(CC)C(C)CC.
What is the InChIKey of butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane?
The InChIKey is FUSFQNJISJMRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P2/c1-7-12(5)14(9-3)11-15(10-4)13(6)8-2/h12-13H,7-11H2,1-6H3.
What are the key properties of butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane?
butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane has a molecular weight of 248.33 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane is sourced from PubChem (CID 23501471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).