methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate

C15H24O4 — CID 59932032

IUPACmethyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate
SMILESCCCCCC1C(=O)CC2COCC21CC(=O)OC
InChIInChI=1S/C15H24O4/c1-3-4-5-6-12-13(16)7-11-9-19-10-15(11,12)8-14(17)18-2/h11-12H,3-10H2,1-2H3
InChIKeyPOMTZRGMUHNZLW-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.35
Rot. Bonds6

About methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate

methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate (PubChem CID 59932032) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate
PubChem CID59932032
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate
SMILESCCCCCC1C(=O)CC2COCC21CC(=O)OC
InChIInChI=1S/C15H24O4/c1-3-4-5-6-12-13(16)7-11-9-19-10-15(11,12)8-14(17)18-2/h11-12H,3-10H2,1-2H3
InChIKeyPOMTZRGMUHNZLW-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.35
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-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate?
The IUPAC name of methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate (CID 59932032) is methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate.
What is the SMILES notation for methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate?
The canonical SMILES for methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate is CCCCCC1C(=O)CC2COCC21CC(=O)OC.
What is the InChIKey of methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate?
The InChIKey is POMTZRGMUHNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-4-5-6-12-13(16)7-11-9-19-10-15(11,12)8-14(17)18-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate?
methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate has a molecular weight of 268.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-oxo-4-pentyl-3,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-yl)acetate is sourced from PubChem (CID 59932032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).