2,2-di(cyclopenten-1-yloxy)ethyl butanoate

C16H24O4 — CID 22715421

IUPAC2,2-di(cyclopenten-1-yloxy)ethyl butanoate
SMILESCCCC(=O)OCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C16H24O4/c1-2-7-15(17)18-12-16(19-13-8-3-4-9-13)20-14-10-5-6-11-14/h8,10,16H,2-7,9,11-12H2,1H3
InChIKeyCUTIJLZJTQCZHL-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.82
Rot. Bonds8

About 2,2-di(cyclopenten-1-yloxy)ethyl butanoate

2,2-di(cyclopenten-1-yloxy)ethyl butanoate (PubChem CID 22715421) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2,2-di(cyclopenten-1-yloxy)ethyl butanoate.

Molecular Properties

Compound Name2,2-di(cyclopenten-1-yloxy)ethyl butanoate
PubChem CID22715421
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2,2-di(cyclopenten-1-yloxy)ethyl butanoate
SMILESCCCC(=O)OCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C16H24O4/c1-2-7-15(17)18-12-16(19-13-8-3-4-9-13)20-14-10-5-6-11-14/h8,10,16H,2-7,9,11-12H2,1H3
InChIKeyCUTIJLZJTQCZHL-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl butanoate?
The IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl butanoate (CID 22715421) is 2,2-di(cyclopenten-1-yloxy)ethyl butanoate.
What is the SMILES notation for 2,2-di(cyclopenten-1-yloxy)ethyl butanoate?
The canonical SMILES for 2,2-di(cyclopenten-1-yloxy)ethyl butanoate is CCCC(=O)OCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 2,2-di(cyclopenten-1-yloxy)ethyl butanoate?
The InChIKey is CUTIJLZJTQCZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-2-7-15(17)18-12-16(19-13-8-3-4-9-13)20-14-10-5-6-11-14/h8,10,16H,2-7,9,11-12H2,1H3.
What are the key properties of 2,2-di(cyclopenten-1-yloxy)ethyl butanoate?
2,2-di(cyclopenten-1-yloxy)ethyl butanoate has a molecular weight of 280.36 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenten-1-yloxy)ethyl butanoate is sourced from PubChem (CID 22715421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).