bis[(Z)-hex-2-enyl] butanedioate

C16H26O4 — CID 91701123

IUPACbis[(Z)-hex-2-enyl] butanedioate
SMILESCCC/C=C\COC(=O)CCC(=O)OC/C=C\CCC
InChIInChI=1S/C16H26O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h7-10H,3-6,11-14H2,1-2H3/b9-7-,10-8-
InChIKeyDPEKZYDOELIGPS-XOHWUJONSA-N
MW282.38 g/mol
LogP3.57
Rot. Bonds11

About bis[(Z)-hex-2-enyl] butanedioate

bis[(Z)-hex-2-enyl] butanedioate (PubChem CID 91701123) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is bis[(Z)-hex-2-enyl] butanedioate.

Molecular Properties

Compound Namebis[(Z)-hex-2-enyl] butanedioate
PubChem CID91701123
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namebis[(Z)-hex-2-enyl] butanedioate
SMILESCCC/C=C\COC(=O)CCC(=O)OC/C=C\CCC
InChIInChI=1S/C16H26O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h7-10H,3-6,11-14H2,1-2H3/b9-7-,10-8-
InChIKeyDPEKZYDOELIGPS-XOHWUJONSA-N
XLogP3.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.57
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

bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
bis(nona-2,6-dienyl) butanedioate
CID 172814579
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
hex-2-enyl hex-3-enoate
CID 71346528
1-O-[(Z)-hex-2-enyl] 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91698255
[(Z)-non-2-enyl] decanoate
CID 88564768
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(E)-dec-2-enyl] butanoate
CID 91749795
1-O-[(E)-dec-4-enyl] 4-O-[(E)-dodec-2-enyl] butanedioate
CID 91715869
4-octadec-2-enoxy-4-oxobutanoic acid
CID 54223186

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-hex-2-enyl] butanedioate?
The IUPAC name of bis[(Z)-hex-2-enyl] butanedioate (CID 91701123) is bis[(Z)-hex-2-enyl] butanedioate.
What is the SMILES notation for bis[(Z)-hex-2-enyl] butanedioate?
The canonical SMILES for bis[(Z)-hex-2-enyl] butanedioate is CCC/C=C\COC(=O)CCC(=O)OC/C=C\CCC.
What is the InChIKey of bis[(Z)-hex-2-enyl] butanedioate?
The InChIKey is DPEKZYDOELIGPS-XOHWUJONSA-N. The full InChI is InChI=1S/C16H26O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h7-10H,3-6,11-14H2,1-2H3/b9-7-,10-8-.
What are the key properties of bis[(Z)-hex-2-enyl] butanedioate?
bis[(Z)-hex-2-enyl] butanedioate has a molecular weight of 282.38 g/mol, XLogP of 3.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-hex-2-enyl] butanedioate is sourced from PubChem (CID 91701123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).