[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate

C12H16O2 — CID 638928

IUPAC[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate
SMILESC=C[C@@H]1CC=C[C@@H]1[C@H](C=C)OC(C)=O
InChIInChI=1S/C12H16O2/c1-4-10-7-6-8-11(10)12(5-2)14-9(3)13/h4-6,8,10-12H,1-2,7H2,3H3/t10-,11+,12+/m1/s1
InChIKeyUGXVSFOECMBEPK-WOPDTQHZSA-N
MW192.26 g/mol
LogP2.48
Rot. Bonds4

About [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate

[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate (PubChem CID 638928) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate
PubChem CID638928
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate
SMILESC=C[C@@H]1CC=C[C@@H]1[C@H](C=C)OC(C)=O
InChIInChI=1S/C12H16O2/c1-4-10-7-6-8-11(10)12(5-2)14-9(3)13/h4-6,8,10-12H,1-2,7H2,3H3/t10-,11+,12+/m1/s1
InChIKeyUGXVSFOECMBEPK-WOPDTQHZSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.48
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

[(1R)-1-[(3aS,4S,8S,8aR)-4-[(1R)-1-acetyloxyprop-2-enyl]-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl]but-3-enyl] acetate
CID 101024375
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
[(2R)-but-3-en-2-yl] acetate
CID 11378468
4,4-dimethylpent-1-en-3-yl acetate
CID 12593030
[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate
CID 72711553
(4-acetyloxy-5-methylhex-1-en-3-yl) acetate
CID 123347745
1-nitroprop-2-enyl acetate
CID 54465399
4-hydroxypent-1-en-3-yl acetate
CID 130149697
1-(4-propan-2-ylphenyl)prop-2-enyl acetate
CID 169084542
5-(3-methylbuta-1,2-dienyl)cyclopent-2-en-1-ol
CID 12835515
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
[(3R)-pent-1-en-3-yl] acetate
CID 92859949

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate?
The IUPAC name of [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate (CID 638928) is [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate?
The canonical SMILES for [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate is C=C[C@@H]1CC=C[C@@H]1[C@H](C=C)OC(C)=O.
What is the InChIKey of [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate?
The InChIKey is UGXVSFOECMBEPK-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-10-7-6-8-11(10)12(5-2)14-9(3)13/h4-6,8,10-12H,1-2,7H2,3H3/t10-,11+,12+/m1/s1.
What are the key properties of [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate?
[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate has a molecular weight of 192.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate is sourced from PubChem (CID 638928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).