(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane

C13H20P4 — CID 20872070

IUPAC(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane
SMILESCCCCC1=C(P(P)PP)Cc2ccccc21
InChIInChI=1S/C13H20P4/c1-2-3-7-12-11-8-5-4-6-10(11)9-13(12)17(15)16-14/h4-6,8,16H,2-3,7,9,14-15H2,1H3
InChIKeyQWHYOENYJQVRSN-UHFFFAOYSA-N
MW300.20 g/mol
LogP5.80
Rot. Bonds5

About (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane

(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane (PubChem CID 20872070) has the molecular formula C13H20P4 and a molecular weight of 300.20 g/mol. Its IUPAC name is (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane.

Molecular Properties

Compound Name(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane
PubChem CID20872070
Molecular FormulaC13H20P4
Molecular Weight300.20 g/mol
Exact Mass300.05
IUPAC Name(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane
SMILESCCCCC1=C(P(P)PP)Cc2ccccc21
InChIInChI=1S/C13H20P4/c1-2-3-7-12-11-8-5-4-6-10(11)9-13(12)17(15)16-14/h4-6,8,16H,2-3,7,9,14-15H2,1H3
InChIKeyQWHYOENYJQVRSN-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.20
LogP ≤ 55.80
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 (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane?
The IUPAC name of (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane (CID 20872070) is (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane.
What is the SMILES notation for (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane?
The canonical SMILES for (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane is CCCCC1=C(P(P)PP)Cc2ccccc21.
What is the InChIKey of (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane?
The InChIKey is QWHYOENYJQVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20P4/c1-2-3-7-12-11-8-5-4-6-10(11)9-13(12)17(15)16-14/h4-6,8,16H,2-3,7,9,14-15H2,1H3.
What are the key properties of (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane?
(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane has a molecular weight of 300.20 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane is sourced from PubChem (CID 20872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).