[(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate

C15H25ClO2 — CID 143814921

IUPAC[(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCC/C=C/[C@H]1CC[C@@H](Cl)C1
InChIInChI=1S/C15H25ClO2/c1-12(18-13(2)17)7-5-3-4-6-8-14-9-10-15(16)11-14/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/b8-6+/t12-,14+,15-/m1/s1
InChIKeyFPASFHJSIFVPEN-ALROKQHHSA-N
MW272.82 g/mol
LogP4.46
Rot. Bonds7

About [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate

[(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate (PubChem CID 143814921) has the molecular formula C15H25ClO2 and a molecular weight of 272.82 g/mol. Its IUPAC name is [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate.

Molecular Properties

Compound Name[(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate
PubChem CID143814921
Molecular FormulaC15H25ClO2
Molecular Weight272.82 g/mol
Exact Mass272.15
IUPAC Name[(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCC/C=C/[C@H]1CC[C@@H](Cl)C1
InChIInChI=1S/C15H25ClO2/c1-12(18-13(2)17)7-5-3-4-6-8-14-9-10-15(16)11-14/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/b8-6+/t12-,14+,15-/m1/s1
InChIKeyFPASFHJSIFVPEN-ALROKQHHSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-tridec-10-en-2-yl] acetate
CID 173369884
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
6-hydroxyhexan-2-yl acetate
CID 15812148
13-oxoheptadec-10-en-2-yl acetate
CID 76539180
[(2R)-6-bromohexan-2-yl] acetate
CID 12619445
pentacosan-2-yl acetate
CID 173416941
[(E,2S)-7-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-2-yl] acetate
CID 134858909
hexan-2-yl acetate;methane
CID 159910641
7-acetyloxyoctanoic acid
CID 14119881

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate?
The IUPAC name of [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate (CID 143814921) is [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate.
What is the SMILES notation for [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate?
The canonical SMILES for [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate is CC(=O)O[C@H](C)CCCC/C=C/[C@H]1CC[C@@H](Cl)C1.
What is the InChIKey of [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate?
The InChIKey is FPASFHJSIFVPEN-ALROKQHHSA-N. The full InChI is InChI=1S/C15H25ClO2/c1-12(18-13(2)17)7-5-3-4-6-8-14-9-10-15(16)11-14/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/b8-6+/t12-,14+,15-/m1/s1.
What are the key properties of [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate?
[(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate has a molecular weight of 272.82 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-8-[(1S,3R)-3-chlorocyclopentyl]oct-7-en-2-yl] acetate is sourced from PubChem (CID 143814921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).