(1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione

C14H12O5 — CID 70834854

IUPAC(1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione
SMILESCOc1ccc2c3c1O[C@H]1CC(=O)C[C@H](OC2=O)C31
InChIInChI=1S/C14H12O5/c1-17-8-3-2-7-11-12-9(18-13(8)11)4-6(15)5-10(12)19-14(7)16/h2-3,9-10,12H,4-5H2,1H3/t9-,10-,12?/m0/s1
InChIKeyVQIIYQYQKJZOMU-HVFQMFNGSA-N
MW260.24 g/mol
LogP1.44
Rot. Bonds1

About (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione

(1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione (PubChem CID 70834854) has the molecular formula C14H12O5 and a molecular weight of 260.24 g/mol. Its IUPAC name is (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione.

Molecular Properties

Compound Name(1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione
PubChem CID70834854
Molecular FormulaC14H12O5
Molecular Weight260.24 g/mol
Exact Mass260.07
IUPAC Name(1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione
SMILESCOc1ccc2c3c1O[C@H]1CC(=O)C[C@H](OC2=O)C31
InChIInChI=1S/C14H12O5/c1-17-8-3-2-7-11-12-9(18-13(8)11)4-6(15)5-10(12)19-14(7)16/h2-3,9-10,12H,4-5H2,1H3/t9-,10-,12?/m0/s1
InChIKeyVQIIYQYQKJZOMU-HVFQMFNGSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione?
The IUPAC name of (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione (CID 70834854) is (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione.
What is the SMILES notation for (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione?
The canonical SMILES for (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione is COc1ccc2c3c1O[C@H]1CC(=O)C[C@H](OC2=O)C31.
What is the InChIKey of (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione?
The InChIKey is VQIIYQYQKJZOMU-HVFQMFNGSA-N. The full InChI is InChI=1S/C14H12O5/c1-17-8-3-2-7-11-12-9(18-13(8)11)4-6(15)5-10(12)19-14(7)16/h2-3,9-10,12H,4-5H2,1H3/t9-,10-,12?/m0/s1.
What are the key properties of (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione?
(1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione has a molecular weight of 260.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-11-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-3,7-dione is sourced from PubChem (CID 70834854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).