prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate

C15H16O4 — CID 19792341

IUPACprop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate
SMILESC=CC(=O)OC(=O)c1c(C)cc(C)c2c1CCCO2
InChIInChI=1S/C15H16O4/c1-4-12(16)19-15(17)13-9(2)8-10(3)14-11(13)6-5-7-18-14/h4,8H,1,5-7H2,2-3H3
InChIKeyIDUCGXAESSYNPD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.50
Rot. Bonds2

About prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate

prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate (PubChem CID 19792341) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate
PubChem CID19792341
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameprop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate
SMILESC=CC(=O)OC(=O)c1c(C)cc(C)c2c1CCCO2
InChIInChI=1S/C15H16O4/c1-4-12(16)19-15(17)13-9(2)8-10(3)14-11(13)6-5-7-18-14/h4,8H,1,5-7H2,2-3H3
InChIKeyIDUCGXAESSYNPD-UHFFFAOYSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate?
The IUPAC name of prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate (CID 19792341) is prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate.
What is the SMILES notation for prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate?
The canonical SMILES for prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate is C=CC(=O)OC(=O)c1c(C)cc(C)c2c1CCCO2.
What is the InChIKey of prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate?
The InChIKey is IDUCGXAESSYNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-12(16)19-15(17)13-9(2)8-10(3)14-11(13)6-5-7-18-14/h4,8H,1,5-7H2,2-3H3.
What are the key properties of prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate?
prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 6,8-dimethyl-3,4-dihydro-2H-chromene-5-carboxylate is sourced from PubChem (CID 19792341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).