[(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane

C15H32NO3P3 — CID 126760594

IUPAC[(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane
SMILESCC(C)/C1=N/CCC(C)(P(=O)(OP)OP)CCCCCCC1
InChIInChI=1S/C15H32NO3P3/c1-13(2)14-9-7-5-4-6-8-10-15(3,11-12-16-14)22(17,18-20)19-21/h13H,4-12,20-21H2,1-3H3/b16-14+
InChIKeyJURXODWUWRRKSJ-JQIJEIRASA-N
MW367.35 g/mol
LogP5.78
Rot. Bonds4

About [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane

[(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane (PubChem CID 126760594) has the molecular formula C15H32NO3P3 and a molecular weight of 367.35 g/mol. Its IUPAC name is [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane.

Molecular Properties

Compound Name[(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane
PubChem CID126760594
Molecular FormulaC15H32NO3P3
Molecular Weight367.35 g/mol
Exact Mass367.16
IUPAC Name[(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane
SMILESCC(C)/C1=N/CCC(C)(P(=O)(OP)OP)CCCCCCC1
InChIInChI=1S/C15H32NO3P3/c1-13(2)14-9-7-5-4-6-8-10-15(3,11-12-16-14)22(17,18-20)19-21/h13H,4-12,20-21H2,1-3H3/b16-14+
InChIKeyJURXODWUWRRKSJ-JQIJEIRASA-N
XLogP5.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4-Methyl-11-propan-2-yl-1-azacycloundec-11-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane
CID 117835649

Frequently Asked Questions

What is the IUPAC name of [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane?
The IUPAC name of [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane (CID 126760594) is [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane.
What is the SMILES notation for [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane?
The canonical SMILES for [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane is CC(C)/C1=N/CCC(C)(P(=O)(OP)OP)CCCCCCC1.
What is the InChIKey of [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane?
The InChIKey is JURXODWUWRRKSJ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H32NO3P3/c1-13(2)14-9-7-5-4-6-8-10-15(3,11-12-16-14)22(17,18-20)19-21/h13H,4-12,20-21H2,1-3H3/b16-14+.
What are the key properties of [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane?
[(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane has a molecular weight of 367.35 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methyl-12-propan-2-yl-1-azacyclododec-12-en-4-yl)-phosphanyloxyphosphoryl]oxyphosphane is sourced from PubChem (CID 126760594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).