1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

C19H32O3 — CID 20743843

IUPAC1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCOC(C)OC(=O)C1CC2CC1C1C(CC)CC(CC)C21
InChIInChI=1S/C19H32O3/c1-5-12-8-13(6-2)18-15-9-14(17(12)18)10-16(15)19(20)22-11(4)21-7-3/h11-18H,5-10H2,1-4H3
InChIKeyVVJXUDXWMJOFNE-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.26
Rot. Bonds6

About 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 20743843) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID20743843
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCOC(C)OC(=O)C1CC2CC1C1C(CC)CC(CC)C21
InChIInChI=1S/C19H32O3/c1-5-12-8-13(6-2)18-15-9-14(17(12)18)10-16(15)19(20)22-11(4)21-7-3/h11-18H,5-10H2,1-4H3
InChIKeyVVJXUDXWMJOFNE-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.26
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 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 20743843) is 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCOC(C)OC(=O)C1CC2CC1C1C(CC)CC(CC)C21.
What is the InChIKey of 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is VVJXUDXWMJOFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-5-12-8-13(6-2)18-15-9-14(17(12)18)10-16(15)19(20)22-11(4)21-7-3/h11-18H,5-10H2,1-4H3.
What are the key properties of 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 308.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 20743843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).