tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane

C14H18NP — CID 126497398

IUPACtert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane
SMILESCC(C)(C)P(c1ccccn1)C1C=CC=C1
InChIInChI=1S/C14H18NP/c1-14(2,3)16(12-8-4-5-9-12)13-10-6-7-11-15-13/h4-12H,1-3H3
InChIKeyYIXKQOQTOULEBX-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.48
Rot. Bonds2

About tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane

tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane (PubChem CID 126497398) has the molecular formula C14H18NP and a molecular weight of 231.28 g/mol. Its IUPAC name is tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane
PubChem CID126497398
Molecular FormulaC14H18NP
Molecular Weight231.28 g/mol
Exact Mass231.12
IUPAC Nametert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane
SMILESCC(C)(C)P(c1ccccn1)C1C=CC=C1
InChIInChI=1S/C14H18NP/c1-14(2,3)16(12-8-4-5-9-12)13-10-6-7-11-15-13/h4-12H,1-3H3
InChIKeyYIXKQOQTOULEBX-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cesium;acetylene;(R)-tert-butyl-cyclopentyl-pyridin-2-ylphosphane;tris((S)-tert-butyl-cyclopentyl-pyridin-2-ylphosphane);carbanide;hydride;bis(iron(2+))
CID 162267871
tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
CID 159836265
tert-butyl(pyridin-2-yl)tin
CID 91871108
tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane
CID 164765935
diphenyl(pyridin-2-yl)phosphane
CID 621893
tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane
CID 126492794
bis(4-methylphenyl)-pyridin-2-ylphosphane
CID 21284190
cyclopentyl(dipyridin-2-yl)phosphane
CID 126497392
2,2-dimethylpropane;2-methylpyridine
CID 159740552
chlorogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
CID 15166408
chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
CID 11147372
ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
CID 87343468

Frequently Asked Questions

What is the IUPAC name of tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane?
The IUPAC name of tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane (CID 126497398) is tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane.
What is the SMILES notation for tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane?
The canonical SMILES for tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane is CC(C)(C)P(c1ccccn1)C1C=CC=C1.
What is the InChIKey of tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane?
The InChIKey is YIXKQOQTOULEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NP/c1-14(2,3)16(12-8-4-5-9-12)13-10-6-7-11-15-13/h4-12H,1-3H3.
What are the key properties of tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane?
tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane has a molecular weight of 231.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane is sourced from PubChem (CID 126497398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).