methyl 2-(1-prop-2-enylcyclopentyl)acetate

C11H18O2 — CID 58592988

IUPACmethyl 2-(1-prop-2-enylcyclopentyl)acetate
SMILESC=CCC1(CC(=O)OC)CCCC1
InChIInChI=1S/C11H18O2/c1-3-6-11(7-4-5-8-11)9-10(12)13-2/h3H,1,4-9H2,2H3
InChIKeyQTYMNAWSGLAIGW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-(1-prop-2-enylcyclopentyl)acetate

methyl 2-(1-prop-2-enylcyclopentyl)acetate (PubChem CID 58592988) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-(1-prop-2-enylcyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-prop-2-enylcyclopentyl)acetate
PubChem CID58592988
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-(1-prop-2-enylcyclopentyl)acetate
SMILESC=CCC1(CC(=O)OC)CCCC1
InChIInChI=1S/C11H18O2/c1-3-6-11(7-4-5-8-11)9-10(12)13-2/h3H,1,4-9H2,2H3
InChIKeyQTYMNAWSGLAIGW-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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 2-(1-prop-2-enylcyclopentyl)acetate?
The IUPAC name of methyl 2-(1-prop-2-enylcyclopentyl)acetate (CID 58592988) is methyl 2-(1-prop-2-enylcyclopentyl)acetate.
What is the SMILES notation for methyl 2-(1-prop-2-enylcyclopentyl)acetate?
The canonical SMILES for methyl 2-(1-prop-2-enylcyclopentyl)acetate is C=CCC1(CC(=O)OC)CCCC1.
What is the InChIKey of methyl 2-(1-prop-2-enylcyclopentyl)acetate?
The InChIKey is QTYMNAWSGLAIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-6-11(7-4-5-8-11)9-10(12)13-2/h3H,1,4-9H2,2H3.
What are the key properties of methyl 2-(1-prop-2-enylcyclopentyl)acetate?
methyl 2-(1-prop-2-enylcyclopentyl)acetate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-prop-2-enylcyclopentyl)acetate is sourced from PubChem (CID 58592988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).