2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane

C14H30O6P2 — CID 14906509

IUPAC2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(/C=C/P(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H30O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h9-14H,1-8H3/b10-9+
InChIKeyDIKMFSHBMIVTBP-MDZDMXLPSA-N
MW356.34 g/mol
LogP5.54
Rot. Bonds10

About 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane

2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 14906509) has the molecular formula C14H30O6P2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID14906509
Molecular FormulaC14H30O6P2
Molecular Weight356.34 g/mol
Exact Mass356.15
IUPAC Name2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(/C=C/P(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H30O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h9-14H,1-8H3/b10-9+
InChIKeyDIKMFSHBMIVTBP-MDZDMXLPSA-N
XLogP5.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane (CID 14906509) is 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(/C=C/P(=O)(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is DIKMFSHBMIVTBP-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H30O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h9-14H,1-8H3/b10-9+.
What are the key properties of 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 356.34 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 14906509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).