1-cyclopenta-2,4-dien-1-ylethyl acetate

C9H12O2 — CID 12658220

IUPAC1-cyclopenta-2,4-dien-1-ylethyl acetate
SMILESCC(=O)OC(C)C1C=CC=C1
InChIInChI=1S/C9H12O2/c1-7(11-8(2)10)9-5-3-4-6-9/h3-7,9H,1-2H3
InChIKeyFADUSWNVTYAGSA-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.68
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-ylethyl acetate

1-cyclopenta-2,4-dien-1-ylethyl acetate (PubChem CID 12658220) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylethyl acetate.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylethyl acetate
PubChem CID12658220
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-cyclopenta-2,4-dien-1-ylethyl acetate
SMILESCC(=O)OC(C)C1C=CC=C1
InChIInChI=1S/C9H12O2/c1-7(11-8(2)10)9-5-3-4-6-9/h3-7,9H,1-2H3
InChIKeyFADUSWNVTYAGSA-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylethyl acetate
CID 12705472
[(S)-[1-[2-[(S)-acetyloxy(cyclopenta-2,4-dien-1-yl)methyl]naphthalen-1-yl]naphthalen-2-yl]-cyclopenta-2,4-dien-1-ylmethyl] acetate
CID 102085949
[(1S)-1-(1,3-dithiolan-2-yl)ethyl] acetate
CID 14290524
propan-2-yl acetate;hydrochloride
CID 87336432
[(2S,3R,4R,5S)-4,5-diacetyloxy-2-[(1R)-1-acetyloxyethyl]thiolan-3-yl] acetate
CID 14602780
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
1,1,1-trihydroxypropan-2-yl acetate
CID 141411678
[(1S)-1-(1,3-dithian-2-yl)ethyl] acetate
CID 14290522
1-[(1S,2Z,4Z,6Z,8R)-9-azabicyclo[6.1.0]nona-2,4,6-trien-9-yl]ethanone
CID 13012599
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
propane;propan-2-yl acetate
CID 23325886

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylethyl acetate?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylethyl acetate (CID 12658220) is 1-cyclopenta-2,4-dien-1-ylethyl acetate.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylethyl acetate?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylethyl acetate is CC(=O)OC(C)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylethyl acetate?
The InChIKey is FADUSWNVTYAGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(11-8(2)10)9-5-3-4-6-9/h3-7,9H,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylethyl acetate?
1-cyclopenta-2,4-dien-1-ylethyl acetate has a molecular weight of 152.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylethyl acetate is sourced from PubChem (CID 12658220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).