methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate

C13H22O2 — CID 143331432

IUPACmethyl 4-methylbicyclo[3.3.2]decane-2-carboxylate
SMILESCOC(=O)C1CC(C)C2CCCC1CC2
InChIInChI=1S/C13H22O2/c1-9-8-12(13(14)15-2)11-5-3-4-10(9)6-7-11/h9-12H,3-8H2,1-2H3
InChIKeyRGNNGCABYVXXQV-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.01
Rot. Bonds1

About methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate

methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate (PubChem CID 143331432) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylbicyclo[3.3.2]decane-2-carboxylate
PubChem CID143331432
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl 4-methylbicyclo[3.3.2]decane-2-carboxylate
SMILESCOC(=O)C1CC(C)C2CCCC1CC2
InChIInChI=1S/C13H22O2/c1-9-8-12(13(14)15-2)11-5-3-4-10(9)6-7-11/h9-12H,3-8H2,1-2H3
InChIKeyRGNNGCABYVXXQV-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate?
The IUPAC name of methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate (CID 143331432) is methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate.
What is the SMILES notation for methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate?
The canonical SMILES for methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate is COC(=O)C1CC(C)C2CCCC1CC2.
What is the InChIKey of methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate?
The InChIKey is RGNNGCABYVXXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-8-12(13(14)15-2)11-5-3-4-10(9)6-7-11/h9-12H,3-8H2,1-2H3.
What are the key properties of methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate?
methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate has a molecular weight of 210.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate is sourced from PubChem (CID 143331432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).