(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C16H22O — CID 59070564

IUPAC(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC(C)[C@H]1C2OC(c3ccccc32)[C@@H]1C(C)C
InChIInChI=1S/C16H22O/c1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15(13)17-16/h5-10,13-16H,1-4H3/t13-,14-,15?,16?/m1/s1
InChIKeyZWSMAZQXFNPZMK-WXLSXGNJSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds2

About (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 59070564) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID59070564
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC(C)[C@H]1C2OC(c3ccccc32)[C@@H]1C(C)C
InChIInChI=1S/C16H22O/c1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15(13)17-16/h5-10,13-16H,1-4H3/t13-,14-,15?,16?/m1/s1
InChIKeyZWSMAZQXFNPZMK-WXLSXGNJSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 59070564) is (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is CC(C)[C@H]1C2OC(c3ccccc32)[C@@H]1C(C)C.
What is the InChIKey of (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is ZWSMAZQXFNPZMK-WXLSXGNJSA-N. The full InChI is InChI=1S/C16H22O/c1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15(13)17-16/h5-10,13-16H,1-4H3/t13-,14-,15?,16?/m1/s1.
What are the key properties of (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 230.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 59070564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).