5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate

C18H20O4Se — CID 164525546

IUPAC5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[Se]c1cc(=O)oc2ccccc12
InChIInChI=1S/C18H20O4Se/c1-13(2)18(20)21-10-6-3-7-11-23-16-12-17(19)22-15-9-5-4-8-14(15)16/h4-5,8-9,12H,1,3,6-7,10-11H2,2H3
InChIKeyRIZUJRTYZJIORB-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.83
Rot. Bonds8

About 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate

5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate (PubChem CID 164525546) has the molecular formula C18H20O4Se and a molecular weight of 379.31 g/mol. Its IUPAC name is 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate
PubChem CID164525546
Molecular FormulaC18H20O4Se
Molecular Weight379.31 g/mol
Exact Mass380.05
IUPAC Name5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[Se]c1cc(=O)oc2ccccc12
InChIInChI=1S/C18H20O4Se/c1-13(2)18(20)21-10-6-3-7-11-23-16-12-17(19)22-15-9-5-4-8-14(15)16/h4-5,8-9,12H,1,3,6-7,10-11H2,2H3
InChIKeyRIZUJRTYZJIORB-UHFFFAOYSA-N
XLogP2.83
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate
CID 164525280
6-(2-oxochromen-4-yl)sulfinylhexyl propanoate
CID 164525137
13-(2-oxochromen-4-yl)oxytridecyl 2-methylbutanoate
CID 171454429
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
6-(1-methyl-2-oxoquinolin-4-yl)sulfanylhexyl 2-methylprop-2-enoate
CID 164525442
ethyl 2-[(2-oxochromen-4-yl)methyl]prop-2-enoate
CID 14870004
7-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)heptyl 2-methylprop-2-enoate
CID 163959743
6-(2-oxochromen-4-yl)sulfonylhexyl prop-2-enoate
CID 167114767
CID 175978198
CID 175978198
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate?
The IUPAC name of 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate (CID 164525546) is 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC[Se]c1cc(=O)oc2ccccc12.
What is the InChIKey of 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate?
The InChIKey is RIZUJRTYZJIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4Se/c1-13(2)18(20)21-10-6-3-7-11-23-16-12-17(19)22-15-9-5-4-8-14(15)16/h4-5,8-9,12H,1,3,6-7,10-11H2,2H3.
What are the key properties of 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate?
5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate has a molecular weight of 379.31 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate is sourced from PubChem (CID 164525546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).