(2E)-2-ethylidene-3-methylidenepent-4-enal

C8H10O — CID 123838343

IUPAC(2E)-2-ethylidene-3-methylidenepent-4-enal
SMILESC=CC(=C)/C(C=O)=C\C
InChIInChI=1S/C8H10O/c1-4-7(3)8(5-2)6-9/h4-6H,1,3H2,2H3/b8-5-
InChIKeySBWNDRZOKXSOHO-YVMONPNESA-N
MW122.17 g/mol
LogP1.87
Rot. Bonds3

About (2E)-2-ethylidene-3-methylidenepent-4-enal

(2E)-2-ethylidene-3-methylidenepent-4-enal (PubChem CID 123838343) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-methylidenepent-4-enal.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-methylidenepent-4-enal
PubChem CID123838343
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(2E)-2-ethylidene-3-methylidenepent-4-enal
SMILESC=CC(=C)/C(C=O)=C\C
InChIInChI=1S/C8H10O/c1-4-7(3)8(5-2)6-9/h4-6H,1,3H2,2H3/b8-5-
InChIKeySBWNDRZOKXSOHO-YVMONPNESA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.87
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethene;(E)-2-(1-hydroxyethenyl)but-2-enal
CID 178007347
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine
CID 145149489
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
2-ethylidene-3-methylpent-3-enal
CID 23381845
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
2-methyl(113C)prop-2-enal
CID 71749931
N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
CID 142965256
CID 89152245
CID 89152245
(2Z,3E)-2-ethylidene-3-methoxysulfanylhexa-3,5-dienal
CID 135199697

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3-methylidenepent-4-enal?
The IUPAC name of (2E)-2-ethylidene-3-methylidenepent-4-enal (CID 123838343) is (2E)-2-ethylidene-3-methylidenepent-4-enal.
What is the SMILES notation for (2E)-2-ethylidene-3-methylidenepent-4-enal?
The canonical SMILES for (2E)-2-ethylidene-3-methylidenepent-4-enal is C=CC(=C)/C(C=O)=C\C.
What is the InChIKey of (2E)-2-ethylidene-3-methylidenepent-4-enal?
The InChIKey is SBWNDRZOKXSOHO-YVMONPNESA-N. The full InChI is InChI=1S/C8H10O/c1-4-7(3)8(5-2)6-9/h4-6H,1,3H2,2H3/b8-5-.
What are the key properties of (2E)-2-ethylidene-3-methylidenepent-4-enal?
(2E)-2-ethylidene-3-methylidenepent-4-enal has a molecular weight of 122.17 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-methylidenepent-4-enal is sourced from PubChem (CID 123838343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).