1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate

C15H24O3 — CID 20650542

IUPAC1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCCOC(C)OC(=O)C1CC2C3CCC(C3)C2C1
InChIInChI=1S/C15H24O3/c1-3-17-9(2)18-15(16)12-7-13-10-4-5-11(6-10)14(13)8-12/h9-14H,3-8H2,1-2H3
InChIKeyIBXVYTYCVHUHQC-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds4

About 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate

1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate (PubChem CID 20650542) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate
PubChem CID20650542
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCCOC(C)OC(=O)C1CC2C3CCC(C3)C2C1
InChIInChI=1S/C15H24O3/c1-3-17-9(2)18-15(16)12-7-13-10-4-5-11(6-10)14(13)8-12/h9-14H,3-8H2,1-2H3
InChIKeyIBXVYTYCVHUHQC-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate?
The IUPAC name of 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate (CID 20650542) is 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate.
What is the SMILES notation for 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate?
The canonical SMILES for 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate is CCOC(C)OC(=O)C1CC2C3CCC(C3)C2C1.
What is the InChIKey of 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate?
The InChIKey is IBXVYTYCVHUHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-17-9(2)18-15(16)12-7-13-10-4-5-11(6-10)14(13)8-12/h9-14H,3-8H2,1-2H3.
What are the key properties of 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate?
1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate is sourced from PubChem (CID 20650542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).