(2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione

C15H16O6 — CID 143183715

IUPAC(2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
SMILESC[C@H]1C(=O)C=C2C13CC(=O)OC(C3)[C@@]1(O)C(=O)OC[C@@]21C
InChIInChI=1S/C15H16O6/c1-7-8(16)3-9-13(2)6-20-12(18)15(13,19)10-4-14(7,9)5-11(17)21-10/h3,7,10,19H,4-6H2,1-2H3/t7-,10?,13-,14?,15+/m0/s1
InChIKeyOBPXIIQBMHEOHZ-IZIZMJCZSA-N
MW292.29 g/mol
LogP0.13
Rot. Bonds

About (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione

(2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione (PubChem CID 143183715) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione.

Molecular Properties

Compound Name(2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
PubChem CID143183715
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
SMILESC[C@H]1C(=O)C=C2C13CC(=O)OC(C3)[C@@]1(O)C(=O)OC[C@@]21C
InChIInChI=1S/C15H16O6/c1-7-8(16)3-9-13(2)6-20-12(18)15(13,19)10-4-14(7,9)5-11(17)21-10/h3,7,10,19H,4-6H2,1-2H3/t7-,10?,13-,14?,15+/m0/s1
InChIKeyOBPXIIQBMHEOHZ-IZIZMJCZSA-N
XLogP0.13
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The IUPAC name of (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione (CID 143183715) is (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione.
What is the SMILES notation for (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The canonical SMILES for (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione is C[C@H]1C(=O)C=C2C13CC(=O)OC(C3)[C@@]1(O)C(=O)OC[C@@]21C.
What is the InChIKey of (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The InChIKey is OBPXIIQBMHEOHZ-IZIZMJCZSA-N. The full InChI is InChI=1S/C15H16O6/c1-7-8(16)3-9-13(2)6-20-12(18)15(13,19)10-4-14(7,9)5-11(17)21-10/h3,7,10,19H,4-6H2,1-2H3/t7-,10?,13-,14?,15+/m0/s1.
What are the key properties of (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
(2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione has a molecular weight of 292.29 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,10R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione is sourced from PubChem (CID 143183715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).