hexa-2,4-dienyl (E)-but-2-enoate

C10H14O2 — CID 139967113

IUPAChexa-2,4-dienyl (E)-but-2-enoate
SMILESCC=CC=CCOC(=O)/C=C/C
InChIInChI=1S/C10H14O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-8H,9H2,1-2H3/b5-3?,7-6?,8-4+
InChIKeyGRIQVJDRCQPNRS-HNYXWLHWSA-N
MW166.22 g/mol
LogP2.24
Rot. Bonds4

About hexa-2,4-dienyl (E)-but-2-enoate

hexa-2,4-dienyl (E)-but-2-enoate (PubChem CID 139967113) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is hexa-2,4-dienyl (E)-but-2-enoate.

Molecular Properties

Compound Namehexa-2,4-dienyl (E)-but-2-enoate
PubChem CID139967113
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namehexa-2,4-dienyl (E)-but-2-enoate
SMILESCC=CC=CCOC(=O)/C=C/C
InChIInChI=1S/C10H14O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-8H,9H2,1-2H3/b5-3?,7-6?,8-4+
InChIKeyGRIQVJDRCQPNRS-HNYXWLHWSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
[(E)-but-2-enoyl] 4-[(E)-but-2-enoyl]oxybut-2-enoate
CID 173248940
1-O-[(2E,4E)-hexa-2,4-dienyl] 4-O-[(E)-4-methoxy-4-oxobut-2-enyl] butanedioate
CID 15247866
[(2E,4Z)-hexa-2,4-dienyl] (2R)-2-chloropropanoate
CID 92527031
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
4-O-[(E)-but-2-enyl] 1-O-methyl (Z)-but-2-enedioate
CID 102248901
[(2E,4E)-hexa-2,4-dienyl] but-2-ynoate
CID 12715034
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
4-[(2E,4E)-hexa-2,4-dienoxy]-4-oxobutanoate
CID 18755149
ethyl (E)-but-2-enoate;methanamine
CID 88817268
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
3-methylbutyl (Z)-but-2-enoate
CID 93481892

Frequently Asked Questions

What is the IUPAC name of hexa-2,4-dienyl (E)-but-2-enoate?
The IUPAC name of hexa-2,4-dienyl (E)-but-2-enoate (CID 139967113) is hexa-2,4-dienyl (E)-but-2-enoate.
What is the SMILES notation for hexa-2,4-dienyl (E)-but-2-enoate?
The canonical SMILES for hexa-2,4-dienyl (E)-but-2-enoate is CC=CC=CCOC(=O)/C=C/C.
What is the InChIKey of hexa-2,4-dienyl (E)-but-2-enoate?
The InChIKey is GRIQVJDRCQPNRS-HNYXWLHWSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-8H,9H2,1-2H3/b5-3?,7-6?,8-4+.
What are the key properties of hexa-2,4-dienyl (E)-but-2-enoate?
hexa-2,4-dienyl (E)-but-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-dienyl (E)-but-2-enoate is sourced from PubChem (CID 139967113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).