(1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione

C16H22O4 — CID 10901921

IUPAC(1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione
SMILESCC1=C2CCC(=O)COC(=O)CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C16H22O4/c1-10-13-6-5-12(17)9-20-15(19)7-4-11(8-14(10)18)16(13,2)3/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyPIUOPUORDJAENR-LLVKDONJSA-N
MW278.35 g/mol
LogP2.60
Rot. Bonds

About (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione

(1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione (PubChem CID 10901921) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione.

Molecular Properties

Compound Name(1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione
PubChem CID10901921
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione
SMILESCC1=C2CCC(=O)COC(=O)CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C16H22O4/c1-10-13-6-5-12(17)9-20-15(19)7-4-11(8-14(10)18)16(13,2)3/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyPIUOPUORDJAENR-LLVKDONJSA-N
XLogP2.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione?
The IUPAC name of (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione (CID 10901921) is (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione.
What is the SMILES notation for (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione?
The canonical SMILES for (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione is CC1=C2CCC(=O)COC(=O)CC[C@H](CC1=O)C2(C)C.
What is the InChIKey of (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione?
The InChIKey is PIUOPUORDJAENR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22O4/c1-10-13-6-5-12(17)9-20-15(19)7-4-11(8-14(10)18)16(13,2)3/h11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione?
(1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione has a molecular weight of 278.35 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-11,14,14-trimethyl-5-oxabicyclo[8.3.1]tetradec-10-ene-4,7,12-trione is sourced from PubChem (CID 10901921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).