prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate

C12H16O4S2Se — CID 59909009

IUPACprop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate
SMILESC=CCOC(=O)SC1C[Se]CC1SC(=O)OCC=C
InChIInChI=1S/C12H16O4S2Se/c1-3-5-15-11(13)17-9-7-19-8-10(9)18-12(14)16-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyMXAZDZCPMAXQIX-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.39
Rot. Bonds6

About prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate

prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate (PubChem CID 59909009) has the molecular formula C12H16O4S2Se and a molecular weight of 367.35 g/mol. Its IUPAC name is prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate.

Molecular Properties

Compound Nameprop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate
PubChem CID59909009
Molecular FormulaC12H16O4S2Se
Molecular Weight367.35 g/mol
Exact Mass367.97
IUPAC Nameprop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate
SMILESC=CCOC(=O)SC1C[Se]CC1SC(=O)OCC=C
InChIInChI=1S/C12H16O4S2Se/c1-3-5-15-11(13)17-9-7-19-8-10(9)18-12(14)16-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyMXAZDZCPMAXQIX-UHFFFAOYSA-N
XLogP3.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Prop-2-enyl 2-(2-prop-2-enoxycarbonylsulfanylethylsulfanyl)ethylsulfanylformate
CID 10969341
Propyl [5-(prop-2-enoxycarbonylselanylmethyl)-1,4-thiaselenan-3-yl]methylselanylformate
CID 22899138
Prop-2-enyl [5-(prop-2-enoxycarbonylselanylmethyl)-1,4-thiaselenan-3-yl]methylselanylformate
CID 59909010

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate?
The IUPAC name of prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate (CID 59909009) is prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate.
What is the SMILES notation for prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate?
The canonical SMILES for prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate is C=CCOC(=O)SC1C[Se]CC1SC(=O)OCC=C.
What is the InChIKey of prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate?
The InChIKey is MXAZDZCPMAXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S2Se/c1-3-5-15-11(13)17-9-7-19-8-10(9)18-12(14)16-6-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate?
prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate has a molecular weight of 367.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4-prop-2-enoxycarbonylsulfanylselenolan-3-yl)sulfanylformate is sourced from PubChem (CID 59909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).