1,1-di(propan-2-yl)phosphinan-1-ium

C11H24P+ — CID 161181340

IUPAC1,1-di(propan-2-yl)phosphinan-1-ium
SMILESCC(C)[P+]1(C(C)C)CCCCC1
InChIInChI=1S/C11H24P/c1-10(2)12(11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3/q+1
InChIKeyDJNYTTLGRJTJHH-UHFFFAOYSA-N
MW187.29 g/mol
LogP4.00
Rot. Bonds2

About 1,1-di(propan-2-yl)phosphinan-1-ium

1,1-di(propan-2-yl)phosphinan-1-ium (PubChem CID 161181340) has the molecular formula C11H24P+ and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)phosphinan-1-ium.

Molecular Properties

Compound Name1,1-di(propan-2-yl)phosphinan-1-ium
PubChem CID161181340
Molecular FormulaC11H24P+
Molecular Weight187.29 g/mol
Exact Mass187.16
IUPAC Name1,1-di(propan-2-yl)phosphinan-1-ium
SMILESCC(C)[P+]1(C(C)C)CCCCC1
InChIInChI=1S/C11H24P/c1-10(2)12(11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3/q+1
InChIKeyDJNYTTLGRJTJHH-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)phosphinan-1-ium?
The IUPAC name of 1,1-di(propan-2-yl)phosphinan-1-ium (CID 161181340) is 1,1-di(propan-2-yl)phosphinan-1-ium.
What is the SMILES notation for 1,1-di(propan-2-yl)phosphinan-1-ium?
The canonical SMILES for 1,1-di(propan-2-yl)phosphinan-1-ium is CC(C)[P+]1(C(C)C)CCCCC1.
What is the InChIKey of 1,1-di(propan-2-yl)phosphinan-1-ium?
The InChIKey is DJNYTTLGRJTJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24P/c1-10(2)12(11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3/q+1.
What are the key properties of 1,1-di(propan-2-yl)phosphinan-1-ium?
1,1-di(propan-2-yl)phosphinan-1-ium has a molecular weight of 187.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)phosphinan-1-ium is sourced from PubChem (CID 161181340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).