(2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate

C10H16O4S — CID 4093894

IUPAC(2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate
SMILESC=CSC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C10H16O4S/c1-4-8(11)13-7-10(15-6-3)14-9(12)5-2/h6,10H,3-5,7H2,1-2H3
InChIKeyCEGWCDABOAURAO-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.10
Rot. Bonds7

About (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate

(2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate (PubChem CID 4093894) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate.

Molecular Properties

Compound Name(2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate
PubChem CID4093894
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name(2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate
SMILESC=CSC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C10H16O4S/c1-4-8(11)13-7-10(15-6-3)14-9(12)5-2/h6,10H,3-5,7H2,1-2H3
InChIKeyCEGWCDABOAURAO-UHFFFAOYSA-N
XLogP2.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-di(propanoyloxy)propyl propanoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate
CID 160690637
2-methylhex-5-enyl propanoate
CID 139914758
2-[(3E)-hexa-1,3,5-trien-3-yl]oxypropyl propanoate
CID 145115556
azane;prop-2-enyl propanoate
CID 87729437
1-acetyloxybutan-2-yl propanoate;2-acetyloxybutyl propanoate
CID 158582642
(4-hydroxy-2-propanoyloxybutyl) propanoate
CID 54419057
2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
2,3-di(propanoyloxy)propyl decanoate
CID 87100214
2,3-di(propanoyloxy)propyl hex-3-enoate
CID 123578202
(2-hydroxy-2-sulfanylethyl) propanoate
CID 87972753
chloromethane;prop-2-enyl propanoate
CID 174815872
propan-2-one;prop-2-enyl propanoate
CID 174904905

Frequently Asked Questions

What is the IUPAC name of (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate?
The IUPAC name of (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate (CID 4093894) is (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate.
What is the SMILES notation for (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate?
The canonical SMILES for (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate is C=CSC(COC(=O)CC)OC(=O)CC.
What is the InChIKey of (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate?
The InChIKey is CEGWCDABOAURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-4-8(11)13-7-10(15-6-3)14-9(12)5-2/h6,10H,3-5,7H2,1-2H3.
What are the key properties of (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate?
(2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate has a molecular weight of 232.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylsulfanyl-2-propanoyloxyethyl) propanoate is sourced from PubChem (CID 4093894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).