3-tricyclo[5.2.1.02,6]decanylmethyl propanoate

C14H22O2 — CID 54381612

IUPAC3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
SMILESCCC(=O)OCC1CCC2C3CCC(C3)C12
InChIInChI=1S/C14H22O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h9-12,14H,2-8H2,1H3
InChIKeyVAHSRFPDILKKEB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds3

About 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate

3-tricyclo[5.2.1.02,6]decanylmethyl propanoate (PubChem CID 54381612) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate.

Molecular Properties

Compound Name3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
PubChem CID54381612
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
SMILESCCC(=O)OCC1CCC2C3CCC(C3)C12
InChIInChI=1S/C14H22O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h9-12,14H,2-8H2,1H3
InChIKeyVAHSRFPDILKKEB-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
The IUPAC name of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate (CID 54381612) is 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate.
What is the SMILES notation for 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
The canonical SMILES for 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate is CCC(=O)OCC1CCC2C3CCC(C3)C12.
What is the InChIKey of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
The InChIKey is VAHSRFPDILKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h9-12,14H,2-8H2,1H3.
What are the key properties of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
3-tricyclo[5.2.1.02,6]decanylmethyl propanoate has a molecular weight of 222.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate is sourced from PubChem (CID 54381612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).