methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate

C12H16O2 — CID 140517811

IUPACmethyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate
SMILESCOC(=O)C1CCC2C3C=CC(C3)C12
InChIInChI=1S/C12H16O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h2-3,7-11H,4-6H2,1H3
InChIKeyHEGLQGNDVDRQLX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.01
Rot. Bonds1

About methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate

methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate (PubChem CID 140517811) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate
PubChem CID140517811
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate
SMILESCOC(=O)C1CCC2C3C=CC(C3)C12
InChIInChI=1S/C12H16O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h2-3,7-11H,4-6H2,1H3
InChIKeyHEGLQGNDVDRQLX-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-norbornene-2-carboxylate
CID 24986
Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
CID 15607334
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
CID 121232748
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CID 131866362
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 1-methylcyclopentyl ester
CID 21960938
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5,6-dimethyl-1-(1-methylethenyl)-, methyl ester
CID 154413761
12-Hydroxysilphinene-15-oic acid
CID 44559172
methyl (1R,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 15479093
Silphinene-15-oate
CID 170835690

Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate?
The IUPAC name of methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate (CID 140517811) is methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate.
What is the SMILES notation for methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate?
The canonical SMILES for methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate is COC(=O)C1CCC2C3C=CC(C3)C12.
What is the InChIKey of methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate?
The InChIKey is HEGLQGNDVDRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h2-3,7-11H,4-6H2,1H3.
What are the key properties of methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate?
methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate has a molecular weight of 192.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate is sourced from PubChem (CID 140517811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).