(1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione

C19H22O3 — CID 134574173

IUPAC(1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione
SMILESC/C1=C/C2=C[C@H](C)[C@H]3OC(=CC(=O)C23)CC(C)(C)/C=C\C1=O
InChIInChI=1S/C19H22O3/c1-11-7-13-8-12(2)18-17(13)16(21)9-14(22-18)10-19(3,4)6-5-15(11)20/h5-9,12,17-18H,10H2,1-4H3/b6-5-,11-7-/t12-,17?,18+/m0/s1
InChIKeyFDUXFLCDXUNROJ-POSJJSHBSA-N
MW298.38 g/mol
LogP3.53
Rot. Bonds

About (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione

(1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione (PubChem CID 134574173) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione.

Molecular Properties

Compound Name(1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione
PubChem CID134574173
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione
SMILESC/C1=C/C2=C[C@H](C)[C@H]3OC(=CC(=O)C23)CC(C)(C)/C=C\C1=O
InChIInChI=1S/C19H22O3/c1-11-7-13-8-12(2)18-17(13)16(21)9-14(22-18)10-19(3,4)6-5-15(11)20/h5-9,12,17-18H,10H2,1-4H3/b6-5-,11-7-/t12-,17?,18+/m0/s1
InChIKeyFDUXFLCDXUNROJ-POSJJSHBSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione?
The IUPAC name of (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione (CID 134574173) is (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione.
What is the SMILES notation for (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione?
The canonical SMILES for (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione is C/C1=C/C2=C[C@H](C)[C@H]3OC(=CC(=O)C23)CC(C)(C)/C=C\C1=O.
What is the InChIKey of (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione?
The InChIKey is FDUXFLCDXUNROJ-POSJJSHBSA-N. The full InChI is InChI=1S/C19H22O3/c1-11-7-13-8-12(2)18-17(13)16(21)9-14(22-18)10-19(3,4)6-5-15(11)20/h5-9,12,17-18H,10H2,1-4H3/b6-5-,11-7-/t12-,17?,18+/m0/s1.
What are the key properties of (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione?
(1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione has a molecular weight of 298.38 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5E,8E)-2,6,10,10-tetramethyl-16-oxatricyclo[10.3.1.04,15]hexadeca-3,5,8,12-tetraene-7,14-dione is sourced from PubChem (CID 134574173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).