(1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione

C14H14O4 — CID 101411907

IUPAC(1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione
SMILESO=C1C=C2C(CO[C@@H]3C4=CC(=O)CC4CO[C@H]23)C1
InChIInChI=1S/C14H14O4/c15-9-1-7-5-17-14-12-4-10(16)2-8(12)6-18-13(14)11(7)3-9/h3-4,7-8,13-14H,1-2,5-6H2/t7?,8?,13-,14-/m1/s1
InChIKeyDGZBNWDENBIXET-CDNKIBNWSA-N
MW246.26 g/mol
LogP0.81
Rot. Bonds

About (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione

(1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione (PubChem CID 101411907) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione.

Molecular Properties

Compound Name(1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione
PubChem CID101411907
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione
SMILESO=C1C=C2C(CO[C@@H]3C4=CC(=O)CC4CO[C@H]23)C1
InChIInChI=1S/C14H14O4/c15-9-1-7-5-17-14-12-4-10(16)2-8(12)6-18-13(14)11(7)3-9/h3-4,7-8,13-14H,1-2,5-6H2/t7?,8?,13-,14-/m1/s1
InChIKeyDGZBNWDENBIXET-CDNKIBNWSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione with MolForge

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Related Compounds

(1R,6R,9R,12S)-12-(hydroxymethyl)-8,13-dioxatricyclo[7.4.0.02,6]trideca-2,10-dien-4-one
CID 100941810
(1S,2S,8R)-7,7-dimethoxy-5-methyl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-4-one
CID 101360976

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione?
The IUPAC name of (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione (CID 101411907) is (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione.
What is the SMILES notation for (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione?
The canonical SMILES for (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione is O=C1C=C2C(CO[C@@H]3C4=CC(=O)CC4CO[C@H]23)C1.
What is the InChIKey of (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione?
The InChIKey is DGZBNWDENBIXET-CDNKIBNWSA-N. The full InChI is InChI=1S/C14H14O4/c15-9-1-7-5-17-14-12-4-10(16)2-8(12)6-18-13(14)11(7)3-9/h3-4,7-8,13-14H,1-2,5-6H2/t7?,8?,13-,14-/m1/s1.
What are the key properties of (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione?
(1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione has a molecular weight of 246.26 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-8,16-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-2,10-diene-4,12-dione is sourced from PubChem (CID 101411907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).