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

C8H12O2 — CID 19821096

IUPAC(2-methylcyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1CCC=C1C
InChIInChI=1S/C8H12O2/c1-6-4-3-5-8(6)10-7(2)9/h4,8H,3,5H2,1-2H3
InChIKeyNSKPZYVFBWKOBL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

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

(2-methylcyclopent-2-en-1-yl) acetate (PubChem CID 19821096) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2-methylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(2-methylcyclopent-2-en-1-yl) acetate
PubChem CID19821096
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2-methylcyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1CCC=C1C
InChIInChI=1S/C8H12O2/c1-6-4-3-5-8(6)10-7(2)9/h4,8H,3,5H2,1-2H3
InChIKeyNSKPZYVFBWKOBL-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
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 (2-methylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (2-methylcyclopent-2-en-1-yl) acetate (CID 19821096) is (2-methylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (2-methylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (2-methylcyclopent-2-en-1-yl) acetate is CC(=O)OC1CCC=C1C.
What is the InChIKey of (2-methylcyclopent-2-en-1-yl) acetate?
The InChIKey is NSKPZYVFBWKOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-3-5-8(6)10-7(2)9/h4,8H,3,5H2,1-2H3.
What are the key properties of (2-methylcyclopent-2-en-1-yl) acetate?
(2-methylcyclopent-2-en-1-yl) acetate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 19821096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).