methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate

C10H16O3 — CID 85119107

IUPACmethyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1CC2CC(OC)C1C2
InChIInChI=1S/C10H16O3/c1-12-9-5-6-3-7(9)8(4-6)10(11)13-2/h6-9H,3-5H2,1-2H3
InChIKeyCNJMZVDZFRZPKU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds2

About methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate

methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 85119107) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate
PubChem CID85119107
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1CC2CC(OC)C1C2
InChIInChI=1S/C10H16O3/c1-12-9-5-6-3-7(9)8(4-6)10(11)13-2/h6-9H,3-5H2,1-2H3
InChIKeyCNJMZVDZFRZPKU-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate (CID 85119107) is methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate is COC(=O)C1CC2CC(OC)C1C2.
What is the InChIKey of methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is CNJMZVDZFRZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-9-5-6-3-7(9)8(4-6)10(11)13-2/h6-9H,3-5H2,1-2H3.
What are the key properties of methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate?
methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxybicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 85119107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).