[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane

C10H17NOP2 — CID 170099166

IUPAC[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane
SMILESCC(C)c1cccc(OC(C)(P)P)n1
InChIInChI=1S/C10H17NOP2/c1-7(2)8-5-4-6-9(11-8)12-10(3,13)14/h4-7H,13-14H2,1-3H3
InChIKeyJRYLEENURRIFQJ-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.01
Rot. Bonds3

About [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane

[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane (PubChem CID 170099166) has the molecular formula C10H17NOP2 and a molecular weight of 229.20 g/mol. Its IUPAC name is [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane.

Molecular Properties

Compound Name[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane
PubChem CID170099166
Molecular FormulaC10H17NOP2
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane
SMILESCC(C)c1cccc(OC(C)(P)P)n1
InChIInChI=1S/C10H17NOP2/c1-7(2)8-5-4-6-9(11-8)12-10(3,13)14/h4-7H,13-14H2,1-3H3
InChIKeyJRYLEENURRIFQJ-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane?
The IUPAC name of [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane (CID 170099166) is [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane.
What is the SMILES notation for [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane?
The canonical SMILES for [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane is CC(C)c1cccc(OC(C)(P)P)n1.
What is the InChIKey of [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane?
The InChIKey is JRYLEENURRIFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOP2/c1-7(2)8-5-4-6-9(11-8)12-10(3,13)14/h4-7H,13-14H2,1-3H3.
What are the key properties of [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane?
[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane has a molecular weight of 229.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane is sourced from PubChem (CID 170099166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).