propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate

C11H18O2 — CID 166520674

IUPACpropan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate
SMILESCC(C)OC(=O)CC1(C)C=CCC1
InChIInChI=1S/C11H18O2/c1-9(2)13-10(12)8-11(3)6-4-5-7-11/h4,6,9H,5,7-8H2,1-3H3
InChIKeyGASYCTGLYSARTN-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate

propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate (PubChem CID 166520674) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate
PubChem CID166520674
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namepropan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate
SMILESCC(C)OC(=O)CC1(C)C=CCC1
InChIInChI=1S/C11H18O2/c1-9(2)13-10(12)8-11(3)6-4-5-7-11/h4,6,9H,5,7-8H2,1-3H3
InChIKeyGASYCTGLYSARTN-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentene-1-acetic acid, ethyl ester
CID 10877336
2-Cyclopentene-1-acetic acid, cyclohexyl ester
CID 103376
2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 21149847
Trans-eldanolide
CID 11008321
3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, ethyl ester
CID 21156141
2-Cyclopentene-1-acetic acid, 1-methylheptyl ester
CID 175576
2-Cyclopentene-1-acetic acid, alpha-2-propen-1-yl-, ethyl ester
CID 21149607
Ethyl 1-methylcyclohex-2-ene-1-carboxylate
CID 129762183
Methyl cyclopent-2-ene-1-acetate
CID 89261
Siglure
CID 164964
(4R,5S)-4-Methyl-5-(3-methylbut-2-en-1-yl)dihydrofuran-2(3H)-one
CID 13367847
Trans-3-methyldodec-cis-6-en-4-olide
CID 101251213

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate (CID 166520674) is propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate is CC(C)OC(=O)CC1(C)C=CCC1.
What is the InChIKey of propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate?
The InChIKey is GASYCTGLYSARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)13-10(12)8-11(3)6-4-5-7-11/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate?
propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 166520674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).