methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate

C12H16O2 — CID 91806491

IUPACmethyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
SMILESCOC(=O)C1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C12H16O2/c1-14-12(13)9-5-10-7-2-3-8(4-7)11(10)6-9/h2-3,7-11H,4-6H2,1H3
InChIKeyUDOYUXBTEOZDJA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.01
Rot. Bonds1

About methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate

methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate (PubChem CID 91806491) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
PubChem CID91806491
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
SMILESCOC(=O)C1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C12H16O2/c1-14-12(13)9-5-10-7-2-3-8(4-7)11(10)6-9/h2-3,7-11H,4-6H2,1H3
InChIKeyUDOYUXBTEOZDJA-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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Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
The IUPAC name of methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate (CID 91806491) is methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate.
What is the SMILES notation for methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
The canonical SMILES for methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate is COC(=O)C1CC2C3C=CC(C3)C2C1.
What is the InChIKey of methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
The InChIKey is UDOYUXBTEOZDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-12(13)9-5-10-7-2-3-8(4-7)11(10)6-9/h2-3,7-11H,4-6H2,1H3.
What are the key properties of methyl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
methyl tricyclo[5.2.1.02,6]dec-8-ene-4-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-4-carboxylate is sourced from PubChem (CID 91806491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).