[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate

C24H26O7 — CID 164512110

IUPAC[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C(C)=C\C
InChIInChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8?/t20-,21?/m1/s1
InChIKeyRVGGCRQPGKFZDS-LUSZRRMFSA-N
MW426.47 g/mol
LogP4.39
Rot. Bonds5

About [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate

[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate (PubChem CID 164512110) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
PubChem CID164512110
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C(C)=C\C
InChIInChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8?/t20-,21?/m1/s1
InChIKeyRVGGCRQPGKFZDS-LUSZRRMFSA-N
XLogP4.39
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate?
The IUPAC name of [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate (CID 164512110) is [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate.
What is the SMILES notation for [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate?
The canonical SMILES for [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate is CC=C(C)C(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C(C)=C\C.
What is the InChIKey of [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate?
The InChIKey is RVGGCRQPGKFZDS-LUSZRRMFSA-N. The full InChI is InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8?/t20-,21?/m1/s1.
What are the key properties of [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate?
[(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate has a molecular weight of 426.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R)-8-[2-(2-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 164512110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).