methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate

C10H14O2 — CID 562169

IUPACmethyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate
SMILESCOC(=O)C1(C)CC12CC21CC1
InChIInChI=1S/C10H14O2/c1-8(7(11)12-2)5-10(8)6-9(10)3-4-9/h3-6H2,1-2H3
InChIKeyRPMLHEXYAMVNEN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.74
Rot. Bonds1

About methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate

methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate (PubChem CID 562169) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate
PubChem CID562169
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate
SMILESCOC(=O)C1(C)CC12CC21CC1
InChIInChI=1S/C10H14O2/c1-8(7(11)12-2)5-10(8)6-9(10)3-4-9/h3-6H2,1-2H3
InChIKeyRPMLHEXYAMVNEN-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate?
The IUPAC name of methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate (CID 562169) is methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate.
What is the SMILES notation for methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate?
The canonical SMILES for methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate is COC(=O)C1(C)CC12CC21CC1.
What is the InChIKey of methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate?
The InChIKey is RPMLHEXYAMVNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(7(11)12-2)5-10(8)6-9(10)3-4-9/h3-6H2,1-2H3.
What are the key properties of methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate?
methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyldispiro[2.0.24.13]heptane-5-carboxylate is sourced from PubChem (CID 562169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).