benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate

C19H18O4S — CID 14477533

IUPACbenzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(SCc2ccccc2)(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C19H18O4S/c20-17-11-12-19(23-17,24-14-16-9-5-2-6-10-16)18(21)22-13-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyFSDNGQVXNLHJAY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.70
Rot. Bonds6

About benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate

benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate (PubChem CID 14477533) has the molecular formula C19H18O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate
PubChem CID14477533
Molecular FormulaC19H18O4S
Molecular Weight342.42 g/mol
Exact Mass342.09
IUPAC Namebenzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(SCc2ccccc2)(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C19H18O4S/c20-17-11-12-19(23-17,24-14-16-9-5-2-6-10-16)18(21)22-13-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyFSDNGQVXNLHJAY-UHFFFAOYSA-N
XLogP3.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate?
The IUPAC name of benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate (CID 14477533) is benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate.
What is the SMILES notation for benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate?
The canonical SMILES for benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate is O=C1CCC(SCc2ccccc2)(C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate?
The InChIKey is FSDNGQVXNLHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4S/c20-17-11-12-19(23-17,24-14-16-9-5-2-6-10-16)18(21)22-13-15-7-3-1-4-8-15/h1-10H,11-14H2.
What are the key properties of benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate?
benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzylsulfanyl-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 14477533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).