ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate

C30H34O10 — CID 134834079

IUPACethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate
SMILESCCOC(=O)C1C(=O)Oc2c(C)c(C)c(O)c(C)c2C1C1c2c(C)c(O)c(C)c(C)c2OC(=O)C1C(=O)OCC
InChIInChI=1S/C30H34O10/c1-9-37-27(33)21-19(17-15(7)23(31)11(3)13(5)25(17)39-29(21)35)20-18-16(8)24(32)12(4)14(6)26(18)40-30(36)22(20)28(34)38-10-2/h19-22,31-32H,9-10H2,1-8H3
InChIKeyZWLLVVCODWYCBM-UHFFFAOYSA-N
MW554.59 g/mol
LogP4.01
Rot. Bonds5

About ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate

ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate (PubChem CID 134834079) has the molecular formula C30H34O10 and a molecular weight of 554.59 g/mol. Its IUPAC name is ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate
PubChem CID134834079
Molecular FormulaC30H34O10
Molecular Weight554.59 g/mol
Exact Mass554.22
IUPAC Nameethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate
SMILESCCOC(=O)C1C(=O)Oc2c(C)c(C)c(O)c(C)c2C1C1c2c(C)c(O)c(C)c(C)c2OC(=O)C1C(=O)OCC
InChIInChI=1S/C30H34O10/c1-9-37-27(33)21-19(17-15(7)23(31)11(3)13(5)25(17)39-29(21)35)20-18-16(8)24(32)12(4)14(6)26(18)40-30(36)22(20)28(34)38-10-2/h19-22,31-32H,9-10H2,1-8H3
InChIKeyZWLLVVCODWYCBM-UHFFFAOYSA-N
XLogP4.01
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate with MolForge

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Related Compounds

ethyl 3-[(6-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-4-yl)sulfanyl]propanoate
CID 101261697
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CID 15253094
methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
CID 10355440
ethyl (3S,4S)-4-methyl-2-oxopyrrolidine-3-carboxylate
CID 165064993
ethyl 2-methyl-4-oxooxolane-3-carboxylate
CID 71628111
diethyl (2S,3R,5S,6S)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124603795
ethyl 3,5-dihydroxy-4-oxocyclohexa-2,5-diene-1-carboxylate
CID 142171281
ethyl 2,6-dihydroxy-3,5-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 154155166
ethyl 4-(1,1-diamino-3-ethoxy-3-oxoprop-1-en-2-yl)-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 134923745
ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 11790517
ethyl (7S)-3,7-dimethyl-2-oxocycloheptane-1-carboxylate
CID 11789100
ethyl (1R,2S,4S)-3-methylidene-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 10081043

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate (CID 134834079) is ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate is CCOC(=O)C1C(=O)Oc2c(C)c(C)c(O)c(C)c2C1C1c2c(C)c(O)c(C)c(C)c2OC(=O)C1C(=O)OCC.
What is the InChIKey of ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate?
The InChIKey is ZWLLVVCODWYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O10/c1-9-37-27(33)21-19(17-15(7)23(31)11(3)13(5)25(17)39-29(21)35)20-18-16(8)24(32)12(4)14(6)26(18)40-30(36)22(20)28(34)38-10-2/h19-22,31-32H,9-10H2,1-8H3.
What are the key properties of ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate?
ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate has a molecular weight of 554.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxycarbonyl-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromen-4-yl)-6-hydroxy-5,7,8-trimethyl-2-oxo-3,4-dihydrochromene-3-carboxylate is sourced from PubChem (CID 134834079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).