(2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate

C24H40O4 — CID 158636026

IUPAC(2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate
SMILESCCCCCC1=C(OC(C)=O)CCC1.CCCCCC1CCC=C1OC(C)=O
InChIInChI=1S/2C12H20O2/c2*1-3-4-5-7-11-8-6-9-12(11)14-10(2)13/h3-9H2,1-2H3;9,11H,3-8H2,1-2H3
InChIKeyHZTYNKMGFGCNHS-UHFFFAOYSA-N
MW392.58 g/mol
LogP6.99
Rot. Bonds10

About (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate

(2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate (PubChem CID 158636026) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate.

Molecular Properties

Compound Name(2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate
PubChem CID158636026
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Name(2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate
SMILESCCCCCC1=C(OC(C)=O)CCC1.CCCCCC1CCC=C1OC(C)=O
InChIInChI=1S/2C12H20O2/c2*1-3-4-5-7-11-8-6-9-12(11)14-10(2)13/h3-9H2,1-2H3;9,11H,3-8H2,1-2H3
InChIKeyHZTYNKMGFGCNHS-UHFFFAOYSA-N
XLogP6.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate?
The IUPAC name of (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate (CID 158636026) is (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate.
What is the SMILES notation for (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate?
The canonical SMILES for (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate is CCCCCC1=C(OC(C)=O)CCC1.CCCCCC1CCC=C1OC(C)=O.
What is the InChIKey of (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate?
The InChIKey is HZTYNKMGFGCNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20O2/c2*1-3-4-5-7-11-8-6-9-12(11)14-10(2)13/h3-9H2,1-2H3;9,11H,3-8H2,1-2H3.
What are the key properties of (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate?
(2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate has a molecular weight of 392.58 g/mol, XLogP of 6.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylcyclopenten-1-yl) acetate;(5-pentylcyclopenten-1-yl) acetate is sourced from PubChem (CID 158636026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).