(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid

C9H12O2 — CID 115011858

IUPAC(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C\C=C\C1CCC1
InChIInChI=1S/C9H12O2/c10-9(11)7-2-1-4-8-5-3-6-8/h1-2,4,7-8H,3,5-6H2,(H,10,11)/b4-1+,7-2-
InChIKeyKXYKUIWXSUTROR-MFTLUYHJSA-N
MW152.19 g/mol
LogP1.98
Rot. Bonds3

About (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid

(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid (PubChem CID 115011858) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid
PubChem CID115011858
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C\C=C\C1CCC1
InChIInChI=1S/C9H12O2/c10-9(11)7-2-1-4-8-5-3-6-8/h1-2,4,7-8H,3,5-6H2,(H,10,11)/b4-1+,7-2-
InChIKeyKXYKUIWXSUTROR-MFTLUYHJSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
CID 115020259
(2E,4E)-(1,6-13C2)hexa-2,4-dienedioic acid
CID 101364163
hexa-2,4-dienedioic acid
CID 310
7-[(1S,2S)-2-(8,8,8-trihydroxyoctyl)cyclopentyl]hepta-2,4,6-trienoic acid
CID 172853911
(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 131234525
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
[(1E,3E,5E)-6-carboxyhexa-1,3,5-trienyl]azanium
CID 102098787
(2E,4E)-5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]penta-2,4-dienoic acid
CID 22137590
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
(E)-3-[(2S)-azetidin-2-yl]prop-2-enoic acid
CID 172530003
3-cyclohexylprop-2-enamide
CID 54292987

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid (CID 115011858) is (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid is O=C(O)/C=C\C=C\C1CCC1.
What is the InChIKey of (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid?
The InChIKey is KXYKUIWXSUTROR-MFTLUYHJSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(11)7-2-1-4-8-5-3-6-8/h1-2,4,7-8H,3,5-6H2,(H,10,11)/b4-1+,7-2-.
What are the key properties of (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid?
(2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid has a molecular weight of 152.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-cyclobutylpenta-2,4-dienoic acid is sourced from PubChem (CID 115011858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).