bis[(Z)-hex-2-enyl] (E)-but-2-enedioate

C16H24O4 — CID 24805711

IUPACbis[(Z)-hex-2-enyl] (E)-but-2-enedioate
SMILESCCC/C=C\COC(=O)/C=C/C(=O)OC/C=C\CCC
InChIInChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h7-12H,3-6,13-14H2,1-2H3/b9-7-,10-8-,12-11+
InChIKeyXZFAQUKINMSMRO-HKTUPRFISA-N
MW280.36 g/mol
LogP3.34
Rot. Bonds10

About bis[(Z)-hex-2-enyl] (E)-but-2-enedioate

bis[(Z)-hex-2-enyl] (E)-but-2-enedioate (PubChem CID 24805711) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is bis[(Z)-hex-2-enyl] (E)-but-2-enedioate.

Molecular Properties

Compound Namebis[(Z)-hex-2-enyl] (E)-but-2-enedioate
PubChem CID24805711
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namebis[(Z)-hex-2-enyl] (E)-but-2-enedioate
SMILESCCC/C=C\COC(=O)/C=C/C(=O)OC/C=C\CCC
InChIInChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h7-12H,3-6,13-14H2,1-2H3/b9-7-,10-8-,12-11+
InChIKeyXZFAQUKINMSMRO-HKTUPRFISA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91701287
[(E)-hex-2-enyl] (E)-4-methylhex-2-enoate
CID 88837158
1-O-ethyl 4-O-[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91713017
(E)-4-oxo-4-pent-2-enoxybut-2-enoic acid
CID 139646437
dec-2-enyl dec-2-enoate
CID 74409769
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
(E)-4-[(Z)-4-methoxybut-2-enoxy]-4-oxobut-2-enoic acid
CID 90437728
hex-2-enyl 2-methylbutanoate
CID 527116
bis(dodec-7-enyl) (Z)-but-2-enedioate
CID 175499448
hex-2-enyl hex-3-enoate
CID 71346528
bis[(E)-octadec-9-enyl] (E)-but-2-enedioate
CID 6436864

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-hex-2-enyl] (E)-but-2-enedioate?
The IUPAC name of bis[(Z)-hex-2-enyl] (E)-but-2-enedioate (CID 24805711) is bis[(Z)-hex-2-enyl] (E)-but-2-enedioate.
What is the SMILES notation for bis[(Z)-hex-2-enyl] (E)-but-2-enedioate?
The canonical SMILES for bis[(Z)-hex-2-enyl] (E)-but-2-enedioate is CCC/C=C\COC(=O)/C=C/C(=O)OC/C=C\CCC.
What is the InChIKey of bis[(Z)-hex-2-enyl] (E)-but-2-enedioate?
The InChIKey is XZFAQUKINMSMRO-HKTUPRFISA-N. The full InChI is InChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h7-12H,3-6,13-14H2,1-2H3/b9-7-,10-8-,12-11+.
What are the key properties of bis[(Z)-hex-2-enyl] (E)-but-2-enedioate?
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate has a molecular weight of 280.36 g/mol, XLogP of 3.34, 10 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] (E)-but-2-enedioate is sourced from PubChem (CID 24805711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).