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

C12H16O2 — CID 13307745

IUPAC4-cyclopenta-2,4-dien-1-ylidenepentyl acetate
SMILESCC(=O)OCCCC(C)=C1C=CC=C1
InChIInChI=1S/C12H16O2/c1-10(12-7-3-4-8-12)6-5-9-14-11(2)13/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyJVKOQXYNWGANEL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.77
Rot. Bonds4

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

4-cyclopenta-2,4-dien-1-ylidenepentyl acetate (PubChem CID 13307745) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-ylidenepentyl acetate
PubChem CID13307745
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-cyclopenta-2,4-dien-1-ylidenepentyl acetate
SMILESCC(=O)OCCCC(C)=C1C=CC=C1
InChIInChI=1S/C12H16O2/c1-10(12-7-3-4-8-12)6-5-9-14-11(2)13/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyJVKOQXYNWGANEL-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Octenyl propionate, (5Z)-
CID 11041412
5-Octenyl acetate, (5Z)-
CID 5352838
(E)-5-Decenyl acetate
CID 5363095
7,9-Dodecadienyl acetate, (7E,9Z)-
CID 1794807
7,9-Dodecadienyl acetate, (7Z,9E)-
CID 6437401
(E,E)-7,9-Dodecadien-1-yl acetate
CID 108581
7,9-Dodecadien-1-ol, 1-acetate, (7E,9E)-
CID 1794808
(Z)-5-Decenyl acetate
CID 5363513
[(7E)-dodeca-7,9-dienyl] acetate
CID 154511780
5E,7Z-Dodecadienyl acetate
CID 5363496
7Z,9Z-Dodecadienyl acetate
CID 5365702
5E,7E-Dodecadienyl acetate
CID 5367419

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate?
The IUPAC name of 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate (CID 13307745) is 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate is CC(=O)OCCCC(C)=C1C=CC=C1.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate?
The InChIKey is JVKOQXYNWGANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(12-7-3-4-8-12)6-5-9-14-11(2)13/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate?
4-cyclopenta-2,4-dien-1-ylidenepentyl acetate has a molecular weight of 192.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-ylidenepentyl acetate is sourced from PubChem (CID 13307745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).