2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane

C14H32O6P2S — CID 15373881

IUPAC2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCSC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H32O6P2S/c1-10(2)17-21(15,18-11(3)4)14(23-9)22(16,19-12(5)6)20-13(7)8/h10-14H,1-9H3
InChIKeySLCNNVJTFTXXBE-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.72
Rot. Bonds11

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

2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 15373881) has the molecular formula C14H32O6P2S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID15373881
Molecular FormulaC14H32O6P2S
Molecular Weight390.42 g/mol
Exact Mass390.14
IUPAC Name2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCSC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H32O6P2S/c1-10(2)17-21(15,18-11(3)4)14(23-9)22(16,19-12(5)6)20-13(7)8/h10-14H,1-9H3
InChIKeySLCNNVJTFTXXBE-UHFFFAOYSA-N
XLogP5.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
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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Related Compounds

(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
CID 101252450
4-di(propan-2-yloxy)phosphoryl-3,3-dimethyl-4-methylsulfanylbut-1-ene
CID 15254083
2-dimethylphosphoryloxypropane
CID 12572720
2-[[[[di(propan-2-yloxy)phosphoryl-ethylsulfanylmethyl]disulfanyl]-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10325067
(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane
CID 101252455
2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde
CID 3760305
copper bis(dipropan-2-yl phosphate)
CID 159825108
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
CID 125471706
2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10088168
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane
CID 71508140

Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane (CID 15373881) is 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane is CSC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is SLCNNVJTFTXXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O6P2S/c1-10(2)17-21(15,18-11(3)4)14(23-9)22(16,19-12(5)6)20-13(7)8/h10-14H,1-9H3.
What are the key properties of 2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 390.42 g/mol, XLogP of 5.72, 11 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)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 15373881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).