bis[(E)-pent-2-enyl] pentanedioate

C15H24O4 — CID 91706483

IUPACbis[(E)-pent-2-enyl] pentanedioate
SMILESCC/C=C/COC(=O)CCCC(=O)OC/C=C/CC
InChIInChI=1S/C15H24O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h5-8H,3-4,9-13H2,1-2H3/b7-5+,8-6+
InChIKeyZFBHFPWHEBRPRL-KQQUZDAGSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds10

About bis[(E)-pent-2-enyl] pentanedioate

bis[(E)-pent-2-enyl] pentanedioate (PubChem CID 91706483) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is bis[(E)-pent-2-enyl] pentanedioate.

Molecular Properties

Compound Namebis[(E)-pent-2-enyl] pentanedioate
PubChem CID91706483
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namebis[(E)-pent-2-enyl] pentanedioate
SMILESCC/C=C/COC(=O)CCCC(=O)OC/C=C/CC
InChIInChI=1S/C15H24O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h5-8H,3-4,9-13H2,1-2H3/b7-5+,8-6+
InChIKeyZFBHFPWHEBRPRL-KQQUZDAGSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-pent-2-enyl] pentanoate
CID 5367937
bis(nona-2,6-dienyl) butanedioate
CID 172814579
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
hex-2-enyl hex-3-enoate
CID 71346528
1-O-[(E)-hex-3-enyl] 5-O-(3-methylbut-2-enyl) pentanedioate
CID 91694877
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-non-2-enyl] decanoate
CID 88564768
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
but-2-enyl octanoate
CID 141242223
5-O-(2-chloro-6-fluorophenyl) 1-O-[(E)-pent-2-enyl] pentanedioate
CID 91706459

Frequently Asked Questions

What is the IUPAC name of bis[(E)-pent-2-enyl] pentanedioate?
The IUPAC name of bis[(E)-pent-2-enyl] pentanedioate (CID 91706483) is bis[(E)-pent-2-enyl] pentanedioate.
What is the SMILES notation for bis[(E)-pent-2-enyl] pentanedioate?
The canonical SMILES for bis[(E)-pent-2-enyl] pentanedioate is CC/C=C/COC(=O)CCCC(=O)OC/C=C/CC.
What is the InChIKey of bis[(E)-pent-2-enyl] pentanedioate?
The InChIKey is ZFBHFPWHEBRPRL-KQQUZDAGSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h5-8H,3-4,9-13H2,1-2H3/b7-5+,8-6+.
What are the key properties of bis[(E)-pent-2-enyl] pentanedioate?
bis[(E)-pent-2-enyl] pentanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-pent-2-enyl] pentanedioate is sourced from PubChem (CID 91706483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).