methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate

C15H24O4 — CID 11737253

IUPACmethyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate
SMILESCCCCCC1=C(OC(C)=O)CCC1CC(=O)OC
InChIInChI=1S/C15H24O4/c1-4-5-6-7-13-12(10-15(17)18-3)8-9-14(13)19-11(2)16/h12H,4-10H2,1-3H3
InChIKeyIVEVYZAZHQVESM-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.36
Rot. Bonds7

About methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate

methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate (PubChem CID 11737253) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate
PubChem CID11737253
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate
SMILESCCCCCC1=C(OC(C)=O)CCC1CC(=O)OC
InChIInChI=1S/C15H24O4/c1-4-5-6-7-13-12(10-15(17)18-3)8-9-14(13)19-11(2)16/h12H,4-10H2,1-3H3
InChIKeyIVEVYZAZHQVESM-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.36
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 methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate?
The IUPAC name of methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate (CID 11737253) is methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate is CCCCCC1=C(OC(C)=O)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate?
The InChIKey is IVEVYZAZHQVESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-5-6-7-13-12(10-15(17)18-3)8-9-14(13)19-11(2)16/h12H,4-10H2,1-3H3.
What are the key properties of methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate?
methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate has a molecular weight of 268.35 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyloxy-2-pentylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 11737253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).