(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione

C15H14O4 — CID 162903166

IUPAC(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione
SMILESCC1=CCCC2=C[C@@H](OC2=O)C2=C(C)C(=O)OC2=C1
InChIInChI=1S/C15H14O4/c1-8-4-3-5-10-7-12(19-15(10)17)13-9(2)14(16)18-11(13)6-8/h4,6-7,12H,3,5H2,1-2H3/t12-/m1/s1
InChIKeyALHPETDJKFISPE-GFCCVEGCSA-N
MW258.27 g/mol
LogP2.34
Rot. Bonds

About (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione

(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione (PubChem CID 162903166) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione.

Molecular Properties

Compound Name(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione
PubChem CID162903166
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione
SMILESCC1=CCCC2=C[C@@H](OC2=O)C2=C(C)C(=O)OC2=C1
InChIInChI=1S/C15H14O4/c1-8-4-3-5-10-7-12(19-15(10)17)13-9(2)14(16)18-11(13)6-8/h4,6-7,12H,3,5H2,1-2H3/t12-/m1/s1
InChIKeyALHPETDJKFISPE-GFCCVEGCSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione with MolForge

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Related Compounds

[(4S,6Z,9E,11E)-3-(acetyloxymethyl)-6,10-dimethyl-2,8-dioxo-4,5-dihydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 132489971
Taraxacin
CID 5241825
Manshurolide
CID 14527198
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Berkedienolactone
CID 57379199
Pyrenocine J
CID 76312966
Neo-aristolactone
CID 5315198
5-(E)-But-2-enylidene-3-propyl-5H-furan-2-one
CID 10035170
(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one
CID 14335215
(4Z,8Z,11S)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 101032442
Aspergone C
CID 156581210
Aspergone D
CID 156581211

Frequently Asked Questions

What is the IUPAC name of (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione?
The IUPAC name of (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione (CID 162903166) is (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione.
What is the SMILES notation for (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione?
The canonical SMILES for (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione is CC1=CCCC2=C[C@@H](OC2=O)C2=C(C)C(=O)OC2=C1.
What is the InChIKey of (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione?
The InChIKey is ALHPETDJKFISPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14O4/c1-8-4-3-5-10-7-12(19-15(10)17)13-9(2)14(16)18-11(13)6-8/h4,6-7,12H,3,5H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione?
(1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione has a molecular weight of 258.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2,6,8,12(15)-tetraene-4,13-dione is sourced from PubChem (CID 162903166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).