bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate

C12H20O7P2S — CID 88808291

IUPACbis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate
SMILESC=CCOP(=O)(OCC=C)OP(=O)(OCC=C)OSCC=C
InChIInChI=1S/C12H20O7P2S/c1-5-9-15-20(13,16-10-6-2)18-21(14,17-11-7-3)19-22-12-8-4/h5-8H,1-4,9-12H2
InChIKeyGTXGPUFSXZMAQK-UHFFFAOYSA-N
MW370.30 g/mol
LogP4.68
Rot. Bonds15

About bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate

bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate (PubChem CID 88808291) has the molecular formula C12H20O7P2S and a molecular weight of 370.30 g/mol. Its IUPAC name is bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate.

Molecular Properties

Compound Namebis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate
PubChem CID88808291
Molecular FormulaC12H20O7P2S
Molecular Weight370.30 g/mol
Exact Mass370.04
IUPAC Namebis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate
SMILESC=CCOP(=O)(OCC=C)OP(=O)(OCC=C)OSCC=C
InChIInChI=1S/C12H20O7P2S/c1-5-9-15-20(13,16-10-6-2)18-21(14,17-11-7-3)19-22-12-8-4/h5-8H,1-4,9-12H2
InChIKeyGTXGPUFSXZMAQK-UHFFFAOYSA-N
XLogP4.68
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate?
The IUPAC name of bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate (CID 88808291) is bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate.
What is the SMILES notation for bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate?
The canonical SMILES for bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate is C=CCOP(=O)(OCC=C)OP(=O)(OCC=C)OSCC=C.
What is the InChIKey of bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate?
The InChIKey is GTXGPUFSXZMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7P2S/c1-5-9-15-20(13,16-10-6-2)18-21(14,17-11-7-3)19-22-12-8-4/h5-8H,1-4,9-12H2.
What are the key properties of bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate?
bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate has a molecular weight of 370.30 g/mol, XLogP of 4.68, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enoxy)phosphoryl prop-2-enyl prop-2-enylsulfanyl phosphate is sourced from PubChem (CID 88808291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).