ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate

C13H20O2 — CID 127024437

IUPACethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCCOC(=O)C1CC2[C@@H]3CC[C@H](C3)[C@@H]2C1
InChIInChI=1S/C13H20O2/c1-2-15-13(14)10-6-11-8-3-4-9(5-8)12(11)7-10/h8-12H,2-7H2,1H3/t8-,9-,10?,11+,12?/m1/s1
InChIKeyMOGRTXHBIPWFGN-GRGSRKJBSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds2

About ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate

ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate (PubChem CID 127024437) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate.

Molecular Properties

Compound Nameethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate
PubChem CID127024437
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCCOC(=O)C1CC2[C@@H]3CC[C@H](C3)[C@@H]2C1
InChIInChI=1S/C13H20O2/c1-2-15-13(14)10-6-11-8-3-4-9(5-8)12(11)7-10/h8-12H,2-7H2,1H3/t8-,9-,10?,11+,12?/m1/s1
InChIKeyMOGRTXHBIPWFGN-GRGSRKJBSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-norbornanecarboxylate
CID 261531
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
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-indenemethanol, octahydro-, acetate
CID 161675
2-Methylbicyclo[2.2.1]heptane-2-carboxylic acid methyl ester
CID 524298
Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
octahydro-4,7-methano-1H-indene-2-carboxylic acid
CID 98132
4,7-Methano-1H-indene-2-methanol, octahydro-, 2-acetate
CID 115844
Ethyl 2,5-endomethylenecyclohexanecarboxylate
CID 21118411

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate?
The IUPAC name of ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate (CID 127024437) is ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate.
What is the SMILES notation for ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate?
The canonical SMILES for ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate is CCOC(=O)C1CC2[C@@H]3CC[C@H](C3)[C@@H]2C1.
What is the InChIKey of ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate?
The InChIKey is MOGRTXHBIPWFGN-GRGSRKJBSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-15-13(14)10-6-11-8-3-4-9(5-8)12(11)7-10/h8-12H,2-7H2,1H3/t8-,9-,10?,11+,12?/m1/s1.
What are the key properties of ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate?
ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate is sourced from PubChem (CID 127024437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).