2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane

C14H32O6P2S — CID 14741994

IUPAC2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CSCP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O6P2S/c1-11(2)17-21(15,18-12(3)4)9-23-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyMQZACCSEJXEONS-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.72
Rot. Bonds12

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

2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 14741994) has the molecular formula C14H32O6P2S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane
PubChem CID14741994
Molecular FormulaC14H32O6P2S
Molecular Weight390.42 g/mol
Exact Mass390.14
IUPAC Name2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CSCP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O6P2S/c1-11(2)17-21(15,18-12(3)4)9-23-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyMQZACCSEJXEONS-UHFFFAOYSA-N
XLogP5.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane (CID 14741994) is 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(CSCP(=O)(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is MQZACCSEJXEONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O6P2S/c1-11(2)17-21(15,18-12(3)4)9-23-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane?
2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 390.42 g/mol, XLogP of 5.72, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 14741994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).