(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one

C14H18O3 — CID 132545348

IUPAC(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
SMILESCC1=C(C)C23OC[C@@](C)(CCC2=C(C)C1=O)O3
InChIInChI=1S/C14H18O3/c1-8-10(3)14-11(9(2)12(8)15)5-6-13(4,17-14)7-16-14/h5-7H2,1-4H3/t13-,14?/m1/s1
InChIKeyRCPZPIDNISPTJW-KWCCSABGSA-N
MW234.29 g/mol
LogP2.52
Rot. Bonds

About (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one

(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one (PubChem CID 132545348) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one.

Molecular Properties

Compound Name(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
PubChem CID132545348
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
SMILESCC1=C(C)C23OC[C@@](C)(CCC2=C(C)C1=O)O3
InChIInChI=1S/C14H18O3/c1-8-10(3)14-11(9(2)12(8)15)5-6-13(4,17-14)7-16-14/h5-7H2,1-4H3/t13-,14?/m1/s1
InChIKeyRCPZPIDNISPTJW-KWCCSABGSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The IUPAC name of (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one (CID 132545348) is (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one.
What is the SMILES notation for (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The canonical SMILES for (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one is CC1=C(C)C23OC[C@@](C)(CCC2=C(C)C1=O)O3.
What is the InChIKey of (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The InChIKey is RCPZPIDNISPTJW-KWCCSABGSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-10(3)14-11(9(2)12(8)15)5-6-13(4,17-14)7-16-14/h5-7H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one has a molecular weight of 234.29 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one is sourced from PubChem (CID 132545348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).