(2E,4E)-6-butoxyhexa-2,4-dienoic acid

C10H16O3 — CID 88991006

IUPAC(2E,4E)-6-butoxyhexa-2,4-dienoic acid
SMILESCCCCOC/C=C/C=C/C(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-8-13-9-6-4-5-7-10(11)12/h4-7H,2-3,8-9H2,1H3,(H,11,12)/b6-4+,7-5+
InChIKeyCVIQOPKKWFKMGF-YDFGWWAZSA-N
MW184.24 g/mol
LogP2.00
Rot. Bonds7

About (2E,4E)-6-butoxyhexa-2,4-dienoic acid

(2E,4E)-6-butoxyhexa-2,4-dienoic acid (PubChem CID 88991006) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2E,4E)-6-butoxyhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-6-butoxyhexa-2,4-dienoic acid
PubChem CID88991006
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(2E,4E)-6-butoxyhexa-2,4-dienoic acid
SMILESCCCCOC/C=C/C=C/C(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-8-13-9-6-4-5-7-10(11)12/h4-7H,2-3,8-9H2,1H3,(H,11,12)/b6-4+,7-5+
InChIKeyCVIQOPKKWFKMGF-YDFGWWAZSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
acetic acid;1-butoxybutane
CID 22256220
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
azane;dodeca-2,4-dienoic acid
CID 174563549
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-butoxyhexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-6-butoxyhexa-2,4-dienoic acid (CID 88991006) is (2E,4E)-6-butoxyhexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-6-butoxyhexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-6-butoxyhexa-2,4-dienoic acid is CCCCOC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-6-butoxyhexa-2,4-dienoic acid?
The InChIKey is CVIQOPKKWFKMGF-YDFGWWAZSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-8-13-9-6-4-5-7-10(11)12/h4-7H,2-3,8-9H2,1H3,(H,11,12)/b6-4+,7-5+.
What are the key properties of (2E,4E)-6-butoxyhexa-2,4-dienoic acid?
(2E,4E)-6-butoxyhexa-2,4-dienoic acid has a molecular weight of 184.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-butoxyhexa-2,4-dienoic acid is sourced from PubChem (CID 88991006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).