ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate

C16H24O2 — CID 59685335

IUPACethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate
SMILESC=COC(=O)C1CC(/C=C/CC)CC1/C=C/CC
InChIInChI=1S/C16H24O2/c1-4-7-9-13-11-14(10-8-5-2)15(12-13)16(17)18-6-3/h6-10,13-15H,3-5,11-12H2,1-2H3/b9-7+,10-8+
InChIKeyCRJZDWYYHAUOGL-FIFLTTCUSA-N
MW248.37 g/mol
LogP4.25
Rot. Bonds6

About ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate

ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate (PubChem CID 59685335) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate
PubChem CID59685335
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Nameethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate
SMILESC=COC(=O)C1CC(/C=C/CC)CC1/C=C/CC
InChIInChI=1S/C16H24O2/c1-4-7-9-13-11-14(10-8-5-2)15(12-13)16(17)18-6-3/h6-10,13-15H,3-5,11-12H2,1-2H3/b9-7+,10-8+
InChIKeyCRJZDWYYHAUOGL-FIFLTTCUSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate?
The IUPAC name of ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate (CID 59685335) is ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate is C=COC(=O)C1CC(/C=C/CC)CC1/C=C/CC.
What is the InChIKey of ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate?
The InChIKey is CRJZDWYYHAUOGL-FIFLTTCUSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-9-13-11-14(10-8-5-2)15(12-13)16(17)18-6-3/h6-10,13-15H,3-5,11-12H2,1-2H3/b9-7+,10-8+.
What are the key properties of ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate?
ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate has a molecular weight of 248.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,4-bis[(E)-but-1-enyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 59685335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).