1-(2-methylcyclopenten-1-yl)ethyl acetate

C10H16O2 — CID 12768648

IUPAC1-(2-methylcyclopenten-1-yl)ethyl acetate
SMILESCC(=O)OC(C)C1=C(C)CCC1
InChIInChI=1S/C10H16O2/c1-7-5-4-6-10(7)8(2)12-9(3)11/h8H,4-6H2,1-3H3
InChIKeyFLHLBRIXYFDMIU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-methylcyclopenten-1-yl)ethyl acetate

1-(2-methylcyclopenten-1-yl)ethyl acetate (PubChem CID 12768648) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methylcyclopenten-1-yl)ethyl acetate.

Molecular Properties

Compound Name1-(2-methylcyclopenten-1-yl)ethyl acetate
PubChem CID12768648
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-methylcyclopenten-1-yl)ethyl acetate
SMILESCC(=O)OC(C)C1=C(C)CCC1
InChIInChI=1S/C10H16O2/c1-7-5-4-6-10(7)8(2)12-9(3)11/h8H,4-6H2,1-3H3
InChIKeyFLHLBRIXYFDMIU-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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

Dihydrobovolide, (+-)-
CID 13192443
Seiridin
CID 190634
Pestalolide
CID 57342266
3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
CID 190635
3-[(5S)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
CID 162850357
Z-7H-5-Dehydro-4-oxofarnesen-11,13-carbolactone
CID 163184532
(8aS)-3-methyl-4,5,6,7,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 44566803
Pestalolide C
CID 146682476
3-[(6S)-6-hydroxyheptyl]-4-methyl-2H-furan-5-one
CID 163069773
(E)-Linifolone
CID 163184533
(1S)-2,3-Dimethylcyclopent-2-en-1-yl acetate
CID 162420339
(1R)-2,3-Dimethylcyclopent-2-en-1-yl acetate
CID 162420340

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopenten-1-yl)ethyl acetate?
The IUPAC name of 1-(2-methylcyclopenten-1-yl)ethyl acetate (CID 12768648) is 1-(2-methylcyclopenten-1-yl)ethyl acetate.
What is the SMILES notation for 1-(2-methylcyclopenten-1-yl)ethyl acetate?
The canonical SMILES for 1-(2-methylcyclopenten-1-yl)ethyl acetate is CC(=O)OC(C)C1=C(C)CCC1.
What is the InChIKey of 1-(2-methylcyclopenten-1-yl)ethyl acetate?
The InChIKey is FLHLBRIXYFDMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-4-6-10(7)8(2)12-9(3)11/h8H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylcyclopenten-1-yl)ethyl acetate?
1-(2-methylcyclopenten-1-yl)ethyl acetate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopenten-1-yl)ethyl acetate is sourced from PubChem (CID 12768648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).