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

C14H32O8P2S — CID 102166253

IUPAC2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CS(=O)(=O)CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O8P2S/c1-11(2)19-23(15,20-12(3)4)9-25(17,18)10-24(16,21-13(5)6)22-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyFQTPDRYZRLTVCZ-UHFFFAOYSA-N
MW422.42 g/mol
LogP4.40
Rot. Bonds12

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

2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 102166253) has the molecular formula C14H32O8P2S and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
PubChem CID102166253
Molecular FormulaC14H32O8P2S
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CS(=O)(=O)CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O8P2S/c1-11(2)19-23(15,20-12(3)4)9-25(17,18)10-24(16,21-13(5)6)22-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyFQTPDRYZRLTVCZ-UHFFFAOYSA-N
XLogP4.40
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Di(propan-2-yloxy)phosphorylmethylsulfonylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
CID 9848833
[3-Dimethylphosphoryl-3-di(propan-2-yloxy)phosphoryl-3-fluoropropyl] methanesulfonate
CID 134189837
1-[Diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
CID 12862787
2-[[Di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 15373881
4,4-Bis(diethoxyphosphoryl)butyl methanesulfonate
CID 15396705
2-[Di(propan-2-yloxy)phosphorylmethylsulfanylmethyl-propan-2-yloxyphosphoryl]oxypropane
CID 14741994
Isopropyl (Diethoxyphosphoryl)methanesulfonate
CID 15725975
3,3-Bis[di(propan-2-yloxy)phosphoryl]propane-1-sulfonyl chloride
CID 21842008
1-[Diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
CID 23534148
Sodium 3,3-bis[di(propan-2-yloxy)phosphoryl]propane-1-sulfonate
CID 23695924
Di(propan-2-yloxy)phosphorylmethyl methanesulfonate
CID 85934161
Methyl di(propan-2-yloxy)phosphorylmethanesulfonate
CID 90222371

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane (CID 102166253) is 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(CS(=O)(=O)CP(=O)(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is FQTPDRYZRLTVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O8P2S/c1-11(2)19-23(15,20-12(3)4)9-25(17,18)10-24(16,21-13(5)6)22-14(7)8/h11-14H,9-10H2,1-8H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane?
2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 422.42 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 102166253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).