propyl 2-propylsulfonylethyl carbonate

C9H18O5S — CID 22979584

IUPACpropyl 2-propylsulfonylethyl carbonate
SMILESCCCOC(=O)OCCS(=O)(=O)CCC
InChIInChI=1S/C9H18O5S/c1-3-5-13-9(10)14-6-8-15(11,12)7-4-2/h3-8H2,1-2H3
InChIKeyZUIRJNRCXRPABH-UHFFFAOYSA-N
MW238.30 g/mol
LogP1.37
Rot. Bonds7

About propyl 2-propylsulfonylethyl carbonate

propyl 2-propylsulfonylethyl carbonate (PubChem CID 22979584) has the molecular formula C9H18O5S and a molecular weight of 238.30 g/mol. Its IUPAC name is propyl 2-propylsulfonylethyl carbonate.

Molecular Properties

Compound Namepropyl 2-propylsulfonylethyl carbonate
PubChem CID22979584
Molecular FormulaC9H18O5S
Molecular Weight238.30 g/mol
Exact Mass238.09
IUPAC Namepropyl 2-propylsulfonylethyl carbonate
SMILESCCCOC(=O)OCCS(=O)(=O)CCC
InChIInChI=1S/C9H18O5S/c1-3-5-13-9(10)14-6-8-15(11,12)7-4-2/h3-8H2,1-2H3
InChIKeyZUIRJNRCXRPABH-UHFFFAOYSA-N
XLogP1.37
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
1-propylsulfonylpropane
CID 11709
chloromethyl propyl carbonate
CID 22595330
2-hexoxycarbonyloxyethanesulfonic acid
CID 169012890
2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
cyclohexa-2,5-diene-1,4-dione;dipropyl carbonate
CID 174383205
2-propylsulfonylethyl 5-amino-2,4-dimethylbenzoate
CID 106728906
2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728784
2-propylsulfonylethyl 5-amino-2-methylbenzoate
CID 106728752
N-(2-propylsulfonylethyl)acetamide
CID 142065321
ethyl 2-propylsulfonylacetate
CID 21245347
dipropyl carbonate;dodecan-1-ol
CID 174718706

Frequently Asked Questions

What is the IUPAC name of propyl 2-propylsulfonylethyl carbonate?
The IUPAC name of propyl 2-propylsulfonylethyl carbonate (CID 22979584) is propyl 2-propylsulfonylethyl carbonate.
What is the SMILES notation for propyl 2-propylsulfonylethyl carbonate?
The canonical SMILES for propyl 2-propylsulfonylethyl carbonate is CCCOC(=O)OCCS(=O)(=O)CCC.
What is the InChIKey of propyl 2-propylsulfonylethyl carbonate?
The InChIKey is ZUIRJNRCXRPABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5S/c1-3-5-13-9(10)14-6-8-15(11,12)7-4-2/h3-8H2,1-2H3.
What are the key properties of propyl 2-propylsulfonylethyl carbonate?
propyl 2-propylsulfonylethyl carbonate has a molecular weight of 238.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-propylsulfonylethyl carbonate is sourced from PubChem (CID 22979584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).