8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate

C14H22O2 — CID 56842823

IUPAC8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H22O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3
InChIKeyAOQXHDOGCZXFEV-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate

8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate (PubChem CID 56842823) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate
PubChem CID56842823
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H22O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3
InChIKeyAOQXHDOGCZXFEV-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate (CID 56842823) is 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate is CC(C)C(=O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate?
The InChIKey is AOQXHDOGCZXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate?
8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate has a molecular weight of 222.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyl 2-methylpropanoate is sourced from PubChem (CID 56842823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).