[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate

C8H12O2 — CID 1277673

IUPAC[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](C)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-8(5-6)10-7(2)9/h3-4,6,8H,5H2,1-2H3/t6-,8+/m1/s1
InChIKeyWAKVYYULGAIFQO-SVRRBLITSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds1

About [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate

[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate (PubChem CID 1277673) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
PubChem CID1277673
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](C)C1
InChIInChI=1S/C8H12O2/c1-6-3-4-8(5-6)10-7(2)9/h3-4,6,8H,5H2,1-2H3/t6-,8+/m1/s1
InChIKeyWAKVYYULGAIFQO-SVRRBLITSA-N
XLogP1.51
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 ≤ 51.51
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

ethane;(4-methylcyclohex-2-en-1-yl) acetate
CID 142062664
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
[(1R,4R,5S)-4-acetyloxy-5-methylcyclohex-2-en-1-yl] acetate
CID 13377895
[(1S,4S,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 125475095
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12846337
2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl acetate
CID 68997394
1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl acetate
CID 154082194
dimethyl (1S,2S,5S)-5-acetyloxycyclohex-3-ene-1,2-dicarboxylate
CID 11010573
methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate
CID 538040
[(1S,4S)-4-fluorocyclohex-2-en-1-yl] acetate
CID 102038901
[(2R,4S)-2-(trifluoromethyl)-3,4-dihydro-2H-thiopyran-4-yl] acetate
CID 154711541

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate (CID 1277673) is [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](C)C1.
What is the InChIKey of [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate?
The InChIKey is WAKVYYULGAIFQO-SVRRBLITSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-8(5-6)10-7(2)9/h3-4,6,8H,5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate has a molecular weight of 140.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 1277673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).