propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate

C12H22O8S — CID 90011533

IUPACpropan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
SMILESCC(C)OC(=O)OCCS(=O)(=O)CCOC(=O)OC(C)C
InChIInChI=1S/C12H22O8S/c1-9(2)19-11(13)17-5-7-21(15,16)8-6-18-12(14)20-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyNRERFIFDVOPDJY-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.52
Rot. Bonds8

About propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate

propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate (PubChem CID 90011533) has the molecular formula C12H22O8S and a molecular weight of 326.37 g/mol. Its IUPAC name is propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
PubChem CID90011533
Molecular FormulaC12H22O8S
Molecular Weight326.37 g/mol
Exact Mass326.10
IUPAC Namepropan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
SMILESCC(C)OC(=O)OCCS(=O)(=O)CCOC(=O)OC(C)C
InChIInChI=1S/C12H22O8S/c1-9(2)19-11(13)17-5-7-21(15,16)8-6-18-12(14)20-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyNRERFIFDVOPDJY-UHFFFAOYSA-N
XLogP1.52
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate?
The IUPAC name of propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate (CID 90011533) is propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate.
What is the SMILES notation for propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate?
The canonical SMILES for propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate is CC(C)OC(=O)OCCS(=O)(=O)CCOC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate?
The InChIKey is NRERFIFDVOPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O8S/c1-9(2)19-11(13)17-5-7-21(15,16)8-6-18-12(14)20-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate?
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate has a molecular weight of 326.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate is sourced from PubChem (CID 90011533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).