(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal

C11H14O — CID 10749508

IUPAC(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal
SMILESCC(=C\C=O)/C=C1/C=CCCC1
InChIInChI=1S/C11H14O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h3,5,7-9H,2,4,6H2,1H3/b10-7+,11-9-
InChIKeyZSYSVXOPFBXJNK-BDFJVSTISA-N
MW162.23 g/mol
LogP2.80
Rot. Bonds2

About (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal

(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal (PubChem CID 10749508) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal.

Molecular Properties

Compound Name(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal
PubChem CID10749508
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal
SMILESCC(=C\C=O)/C=C1/C=CCCC1
InChIInChI=1S/C11H14O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h3,5,7-9H,2,4,6H2,1H3/b10-7+,11-9-
InChIKeyZSYSVXOPFBXJNK-BDFJVSTISA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal
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2-(cyclohex-2-en-1-ylidenemethyl)cyclopropene-1-carboxylic acid
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(5S)-5-[(E)-cyclohex-2-en-1-ylidenemethyl]-4-hydroxy-5-methylthiophen-2-one
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ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
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cyclohex-2-en-1-one;propanal
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Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal?
The IUPAC name of (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal (CID 10749508) is (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal.
What is the SMILES notation for (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal?
The canonical SMILES for (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal is CC(=C\C=O)/C=C1/C=CCCC1.
What is the InChIKey of (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal?
The InChIKey is ZSYSVXOPFBXJNK-BDFJVSTISA-N. The full InChI is InChI=1S/C11H14O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h3,5,7-9H,2,4,6H2,1H3/b10-7+,11-9-.
What are the key properties of (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal?
(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal has a molecular weight of 162.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal is sourced from PubChem (CID 10749508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).