[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate

C9H14O2 — CID 162420340

IUPAC[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCC(C)=C1C
InChIInChI=1S/C9H14O2/c1-6-4-5-9(7(6)2)11-8(3)10/h9H,4-5H2,1-3H3/t9-/m1/s1
InChIKeySRKUBAOZYDBZLD-SECBINFHSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

About [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate

[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate (PubChem CID 162420340) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
PubChem CID162420340
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCC(C)=C1C
InChIInChI=1S/C9H14O2/c1-6-4-5-9(7(6)2)11-8(3)10/h9H,4-5H2,1-3H3/t9-/m1/s1
InChIKeySRKUBAOZYDBZLD-SECBINFHSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
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-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
[(1S,5S)-5-acetyloxy-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] acetate
CID 10658458
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515763
1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-4-yl acetate
CID 145054795
1-acetyloxy-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 174501527
(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
CID 11644722
(5-formyl-4-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515745
(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate
CID 100962209
(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 66584298
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
(8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) acetate
CID 22239693

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate (CID 162420340) is [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate is CC(=O)O[C@@H]1CCC(C)=C1C.
What is the InChIKey of [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate?
The InChIKey is SRKUBAOZYDBZLD-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-5-9(7(6)2)11-8(3)10/h9H,4-5H2,1-3H3/t9-/m1/s1.
What are the key properties of [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate?
[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 162420340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).