1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate

C16H26O3 — CID 20657367

IUPAC1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCCOC(C)OC(=O)C1CC2C3CC(C)C(C3)C2C1
InChIInChI=1S/C16H26O3/c1-4-18-10(3)19-16(17)12-7-14-11-5-9(2)13(6-11)15(14)8-12/h9-15H,4-8H2,1-3H3
InChIKeyLJWDWYDJWJGQBR-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.23
Rot. Bonds4

About 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate

1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate (PubChem CID 20657367) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
PubChem CID20657367
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCCOC(C)OC(=O)C1CC2C3CC(C)C(C3)C2C1
InChIInChI=1S/C16H26O3/c1-4-18-10(3)19-16(17)12-7-14-11-5-9(2)13(6-11)15(14)8-12/h9-15H,4-8H2,1-3H3
InChIKeyLJWDWYDJWJGQBR-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.23
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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Related Compounds

4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
4,7-Methano-1H-indene-2-carboxylic acid, octahydro-, ethyl ester
CID 109169
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171
ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate
CID 127024437
4,7-Methano-1H-indene-1-carboxylic acid, octahydro-, ethyl ester
CID 112136
4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
CID 109136
Methyl 8-fluorotricyclo[5.2.1.02,6]decane-8-carboxylate
CID 57959335
1-Ethoxyethyl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 59203947
(Octahydro-4,7-methano-1H-inden-5-yl)methyl 2-ethylhexanoate
CID 44149086
Dimethyl octahydro-4,7-methano-1H-indene-5,-dicarboxylate
CID 44152216

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate?
The IUPAC name of 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate (CID 20657367) is 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate?
The canonical SMILES for 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate is CCOC(C)OC(=O)C1CC2C3CC(C)C(C3)C2C1.
What is the InChIKey of 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate?
The InChIKey is LJWDWYDJWJGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-18-10(3)19-16(17)12-7-14-11-5-9(2)13(6-11)15(14)8-12/h9-15H,4-8H2,1-3H3.
What are the key properties of 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate?
1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate is sourced from PubChem (CID 20657367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).