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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Related Compounds

1-[1-(cyclopenten-1-yloxy)pent-3-enoxy]cyclopentene
CID 140991633
6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
CID 21330288
4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
diethyl 2-[(6-oxocyclohexen-1-yl)methyl]propanedioate
CID 102375192
2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
CID 142748718
2-aminopropyl butanoate
CID 87536199
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
CID 157373430
ethyl 8-(6-oxocyclohexen-1-yl)octanoate
CID 21403262
dicyclododecen-1-yl butanedioate
CID 70131670
ethyl 3-butanoyloxy-2-methylpropanoate
CID 174484909
2,3-dihydroxypropyl butanoate
CID 175822551

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).