methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate

C14H18O2 — CID 85353044

IUPACmethyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate
SMILESCOC(=O)C1=CC2C3(C)C4CCC(C14)C23C
InChIInChI=1S/C14H18O2/c1-13-8-4-5-9-11(8)7(12(15)16-3)6-10(13)14(9,13)2/h6,8-11H,4-5H2,1-3H3
InChIKeyKAGDUULQGAFOID-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.40
Rot. Bonds1

About methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate

methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate (PubChem CID 85353044) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate
PubChem CID85353044
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate
SMILESCOC(=O)C1=CC2C3(C)C4CCC(C14)C23C
InChIInChI=1S/C14H18O2/c1-13-8-4-5-9-11(8)7(12(15)16-3)6-10(13)14(9,13)2/h6,8-11H,4-5H2,1-3H3
InChIKeyKAGDUULQGAFOID-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate?
The IUPAC name of methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate (CID 85353044) is methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate?
The canonical SMILES for methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate is COC(=O)C1=CC2C3(C)C4CCC(C14)C23C.
What is the InChIKey of methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate?
The InChIKey is KAGDUULQGAFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13-8-4-5-9-11(8)7(12(15)16-3)6-10(13)14(9,13)2/h6,8-11H,4-5H2,1-3H3.
What are the key properties of methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate?
methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyltetracyclo[4.4.0.02,10.03,7]dec-8-ene-8-carboxylate is sourced from PubChem (CID 85353044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).