(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate

C15H22O4 — CID 132992944

IUPAC(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate
SMILESCCC(=O)OC1CCC2C3CC(CC3OC(C)=O)C12
InChIInChI=1S/C15H22O4/c1-3-14(17)19-12-5-4-10-11-6-9(15(10)12)7-13(11)18-8(2)16/h9-13,15H,3-7H2,1-2H3
InChIKeyLETTUJAJTXEXEY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds3

About (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate

(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate (PubChem CID 132992944) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate.

Molecular Properties

Compound Name(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate
PubChem CID132992944
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate
SMILESCCC(=O)OC1CCC2C3CC(CC3OC(C)=O)C12
InChIInChI=1S/C15H22O4/c1-3-14(17)19-12-5-4-10-11-6-9(15(10)12)7-13(11)18-8(2)16/h9-13,15H,3-7H2,1-2H3
InChIKeyLETTUJAJTXEXEY-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate?
The IUPAC name of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate (CID 132992944) is (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate.
What is the SMILES notation for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate?
The canonical SMILES for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate is CCC(=O)OC1CCC2C3CC(CC3OC(C)=O)C12.
What is the InChIKey of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate?
The InChIKey is LETTUJAJTXEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-14(17)19-12-5-4-10-11-6-9(15(10)12)7-13(11)18-8(2)16/h9-13,15H,3-7H2,1-2H3.
What are the key properties of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate?
(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) propanoate is sourced from PubChem (CID 132992944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).