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

C9H14O2 — CID 175827956

IUPAC[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@]1(C)CCC=C1C
InChIInChI=1S/C9H14O2/c1-7-5-4-6-9(7,3)11-8(2)10/h5H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyLSZKYSDTUHIVJQ-VIFPVBQESA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

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

[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate (PubChem CID 175827956) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
PubChem CID175827956
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@]1(C)CCC=C1C
InChIInChI=1S/C9H14O2/c1-7-5-4-6-9(7,3)11-8(2)10/h5H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyLSZKYSDTUHIVJQ-VIFPVBQESA-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

(E)-4-[(1S)-1,2,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one
CID 118519518
[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate
CID 599748
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
CID 174592654
(1-methylcyclobutyl) acetate
CID 13396130
(7-hydroxy-6,6-dimethyl-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-10a-yl) acetate
CID 10083852
(3S,3aS,7aR)-3,7,7a-trimethyl-3-prop-1-en-2-yl-1,2,4,5-tetrahydroinden-3a-ol
CID 50901921
[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl] acetate
CID 178184227
[(E,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl] acetate
CID 71772521
methyl 2-(1-acetyloxy-2,5,5-trimethyl-4,4a,6,7,8,8a-hexahydronaphthalen-1-yl)acetate
CID 5149454
1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
CID 70536981
methyl (4S)-4-acetyloxy-4-cyano-2-methyl-5,6-dihydro-3aH-1-benzofuran-3-carboxylate
CID 101214747
(4,6,10,10-tetramethylspiro[4.5]dec-6-en-4-yl) 4-nitrobenzoate
CID 577041

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate (CID 175827956) is [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate is CC(=O)O[C@@]1(C)CCC=C1C.
What is the InChIKey of [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate?
The InChIKey is LSZKYSDTUHIVJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-7-5-4-6-9(7,3)11-8(2)10/h5H,4,6H2,1-3H3/t9-/m0/s1.
What are the key properties of [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate?
[(1S)-1,2-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 [(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 175827956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).