(2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane

C9H22OP4 — CID 20872047

IUPAC(2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane
SMILESCCCCC1OCCCC1P(P)PP
InChIInChI=1S/C9H22OP4/c1-2-3-5-8-9(14(12)13-11)6-4-7-10-8/h8-9,13H,2-7,11-12H2,1H3
InChIKeyYSMJSPZQRJGQFD-UHFFFAOYSA-N
MW270.17 g/mol
LogP4.38
Rot. Bonds5

About (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane

(2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane (PubChem CID 20872047) has the molecular formula C9H22OP4 and a molecular weight of 270.17 g/mol. Its IUPAC name is (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane.

Molecular Properties

Compound Name(2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane
PubChem CID20872047
Molecular FormulaC9H22OP4
Molecular Weight270.17 g/mol
Exact Mass270.06
IUPAC Name(2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane
SMILESCCCCC1OCCCC1P(P)PP
InChIInChI=1S/C9H22OP4/c1-2-3-5-8-9(14(12)13-11)6-4-7-10-8/h8-9,13H,2-7,11-12H2,1H3
InChIKeyYSMJSPZQRJGQFD-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane?
The IUPAC name of (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane (CID 20872047) is (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane.
What is the SMILES notation for (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane?
The canonical SMILES for (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane is CCCCC1OCCCC1P(P)PP.
What is the InChIKey of (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane?
The InChIKey is YSMJSPZQRJGQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OP4/c1-2-3-5-8-9(14(12)13-11)6-4-7-10-8/h8-9,13H,2-7,11-12H2,1H3.
What are the key properties of (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane?
(2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane has a molecular weight of 270.17 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyloxan-3-yl)-(diphosphanyl)-phosphanylphosphane is sourced from PubChem (CID 20872047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).