(2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane

C10H14NOP — CID 169097195

IUPAC(2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane
SMILESCC(C)(C)O/P=C/c1ccccn1
InChIInChI=1S/C10H14NOP/c1-10(2,3)12-13-8-9-6-4-5-7-11-9/h4-8H,1-3H3
InChIKeyQZSBAIYUJQJWAJ-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.91
Rot. Bonds2

About (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane

(2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane (PubChem CID 169097195) has the molecular formula C10H14NOP and a molecular weight of 195.20 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane
PubChem CID169097195
Molecular FormulaC10H14NOP
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name(2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane
SMILESCC(C)(C)O/P=C/c1ccccn1
InChIInChI=1S/C10H14NOP/c1-10(2,3)12-13-8-9-6-4-5-7-11-9/h4-8H,1-3H3
InChIKeyQZSBAIYUJQJWAJ-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.91
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 (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane?
The IUPAC name of (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane (CID 169097195) is (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane?
The canonical SMILES for (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane is CC(C)(C)O/P=C/c1ccccn1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane?
The InChIKey is QZSBAIYUJQJWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NOP/c1-10(2,3)12-13-8-9-6-4-5-7-11-9/h4-8H,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane?
(2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane has a molecular weight of 195.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-(pyridin-2-ylmethylidene)phosphane is sourced from PubChem (CID 169097195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).