(1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione

C15H14O6 — CID 101415365

IUPAC(1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione
SMILESCO[C@H]1OC(=O)[C@H]2[C@@H]1[C@@H]1O[C@@]2(OC)c2ccccc2C1=O
InChIInChI=1S/C15H14O6/c1-18-14-9-10(13(17)20-14)15(19-2)8-6-4-3-5-7(8)11(16)12(9)21-15/h3-6,9-10,12,14H,1-2H3/t9-,10-,12+,14+,15+/m1/s1
InChIKeyZQJQSOWJXPVOPF-SLFYDOTPSA-N
MW290.27 g/mol
LogP0.84
Rot. Bonds2

About (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione

(1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione (PubChem CID 101415365) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione.

Molecular Properties

Compound Name(1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione
PubChem CID101415365
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name(1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione
SMILESCO[C@H]1OC(=O)[C@H]2[C@@H]1[C@@H]1O[C@@]2(OC)c2ccccc2C1=O
InChIInChI=1S/C15H14O6/c1-18-14-9-10(13(17)20-14)15(19-2)8-6-4-3-5-7(8)11(16)12(9)21-15/h3-6,9-10,12,14H,1-2H3/t9-,10-,12+,14+,15+/m1/s1
InChIKeyZQJQSOWJXPVOPF-SLFYDOTPSA-N
XLogP0.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione?
The IUPAC name of (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione (CID 101415365) is (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione.
What is the SMILES notation for (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione?
The canonical SMILES for (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione is CO[C@H]1OC(=O)[C@H]2[C@@H]1[C@@H]1O[C@@]2(OC)c2ccccc2C1=O.
What is the InChIKey of (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione?
The InChIKey is ZQJQSOWJXPVOPF-SLFYDOTPSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-14-9-10(13(17)20-14)15(19-2)8-6-4-3-5-7(8)11(16)12(9)21-15/h3-6,9-10,12,14H,1-2H3/t9-,10-,12+,14+,15+/m1/s1.
What are the key properties of (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione?
(1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione has a molecular weight of 290.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10R,11S,14S)-1,11-dimethoxy-12,15-dioxatetracyclo[7.5.1.02,7.010,14]pentadeca-2,4,6-triene-8,13-dione is sourced from PubChem (CID 101415365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).