methyl 3-(2-methylidenecyclopentyl)propanoate

C10H16O2 — CID 24973724

IUPACmethyl 3-(2-methylidenecyclopentyl)propanoate
SMILESC=C1CCCC1CCC(=O)OC
InChIInChI=1S/C10H16O2/c1-8-4-3-5-9(8)6-7-10(11)12-2/h9H,1,3-7H2,2H3
InChIKeyJPGRDKNQCUTINO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About methyl 3-(2-methylidenecyclopentyl)propanoate

methyl 3-(2-methylidenecyclopentyl)propanoate (PubChem CID 24973724) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 3-(2-methylidenecyclopentyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylidenecyclopentyl)propanoate
PubChem CID24973724
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 3-(2-methylidenecyclopentyl)propanoate
SMILESC=C1CCCC1CCC(=O)OC
InChIInChI=1S/C10H16O2/c1-8-4-3-5-9(8)6-7-10(11)12-2/h9H,1,3-7H2,2H3
InChIKeyJPGRDKNQCUTINO-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylidenecyclopentyl)propanoate?
The IUPAC name of methyl 3-(2-methylidenecyclopentyl)propanoate (CID 24973724) is methyl 3-(2-methylidenecyclopentyl)propanoate.
What is the SMILES notation for methyl 3-(2-methylidenecyclopentyl)propanoate?
The canonical SMILES for methyl 3-(2-methylidenecyclopentyl)propanoate is C=C1CCCC1CCC(=O)OC.
What is the InChIKey of methyl 3-(2-methylidenecyclopentyl)propanoate?
The InChIKey is JPGRDKNQCUTINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-3-5-9(8)6-7-10(11)12-2/h9H,1,3-7H2,2H3.
What are the key properties of methyl 3-(2-methylidenecyclopentyl)propanoate?
methyl 3-(2-methylidenecyclopentyl)propanoate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylidenecyclopentyl)propanoate is sourced from PubChem (CID 24973724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).