methyl bicyclo[3.2.1]octane-3-carboxylate

C10H16O2 — CID 13370222

IUPACmethyl bicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1CC2CCC(C2)C1
InChIInChI=1S/C10H16O2/c1-12-10(11)9-5-7-2-3-8(4-7)6-9/h7-9H,2-6H2,1H3
InChIKeyOZGFUXLMJHLHIZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds1

About methyl bicyclo[3.2.1]octane-3-carboxylate

methyl bicyclo[3.2.1]octane-3-carboxylate (PubChem CID 13370222) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl bicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namemethyl bicyclo[3.2.1]octane-3-carboxylate
PubChem CID13370222
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl bicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1CC2CCC(C2)C1
InChIInChI=1S/C10H16O2/c1-12-10(11)9-5-7-2-3-8(4-7)6-9/h7-9H,2-6H2,1H3
InChIKeyOZGFUXLMJHLHIZ-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl bicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of methyl bicyclo[3.2.1]octane-3-carboxylate (CID 13370222) is methyl bicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for methyl bicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for methyl bicyclo[3.2.1]octane-3-carboxylate is COC(=O)C1CC2CCC(C2)C1.
What is the InChIKey of methyl bicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is OZGFUXLMJHLHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-12-10(11)9-5-7-2-3-8(4-7)6-9/h7-9H,2-6H2,1H3.
What are the key properties of methyl bicyclo[3.2.1]octane-3-carboxylate?
methyl bicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 13370222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).