[10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate

C19H24O4 — CID 166987415

IUPAC[10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1C2CC(c3ccccc32)C1OC(=O)C(C)C
InChIInChI=1S/C19H24O4/c1-10(2)18(20)22-16-14-9-15(13-8-6-5-7-12(13)14)17(16)23-19(21)11(3)4/h5-8,10-11,14-17H,9H2,1-4H3
InChIKeyOGPMKFYFAWCFJL-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.41
Rot. Bonds4

About [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate

[10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate (PubChem CID 166987415) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate.

Molecular Properties

Compound Name[10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate
PubChem CID166987415
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name[10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1C2CC(c3ccccc32)C1OC(=O)C(C)C
InChIInChI=1S/C19H24O4/c1-10(2)18(20)22-16-14-9-15(13-8-6-5-7-12(13)14)17(16)23-19(21)11(3)4/h5-8,10-11,14-17H,9H2,1-4H3
InChIKeyOGPMKFYFAWCFJL-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate?
The IUPAC name of [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate (CID 166987415) is [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate.
What is the SMILES notation for [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate?
The canonical SMILES for [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate is CC(C)C(=O)OC1C2CC(c3ccccc32)C1OC(=O)C(C)C.
What is the InChIKey of [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate?
The InChIKey is OGPMKFYFAWCFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-10(2)18(20)22-16-14-9-15(13-8-6-5-7-12(13)14)17(16)23-19(21)11(3)4/h5-8,10-11,14-17H,9H2,1-4H3.
What are the key properties of [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate?
[10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate has a molecular weight of 316.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(2-methylpropanoyloxy)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2-methylpropanoate is sourced from PubChem (CID 166987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).