(E)-2-ethyl-4-methylpent-2-enal

C8H14O — CID 5463085

IUPAC(E)-2-ethyl-4-methylpent-2-enal
SMILESCC/C(C=O)=C\C(C)C
InChIInChI=1S/C8H14O/c1-4-8(6-9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+
InChIKeyJBGRAQBQMATPJJ-VMPITWQZSA-N
MW126.20 g/mol
LogP2.18
Rot. Bonds3

About (E)-2-ethyl-4-methylpent-2-enal

(E)-2-ethyl-4-methylpent-2-enal (PubChem CID 5463085) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-2-ethyl-4-methylpent-2-enal.

Molecular Properties

Compound Name(E)-2-ethyl-4-methylpent-2-enal
PubChem CID5463085
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(E)-2-ethyl-4-methylpent-2-enal
SMILESCC/C(C=O)=C\C(C)C
InChIInChI=1S/C8H14O/c1-4-8(6-9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+
InChIKeyJBGRAQBQMATPJJ-VMPITWQZSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.18
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

(2E)-2-[(propan-2-ylamino)methylidene]butanal
CID 175120959
4-ethyl-6-methylhepta-2,4-dien-1-amine
CID 54417124
2-(chloromethylidene)butanal
CID 71360775
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
(Z)-2,4-dimethylhex-3-ene
CID 5463169
2,3,5-triethylhexa-2,4-dienedial
CID 54383049
2-fluoro-4-methylpent-2-enal
CID 123781468
CID 123272911
CID 123272911
4-chloro-2-methylhex-3-ene
CID 91176193
potassium;(E)-3-(carboxymethyl)-5-methyl-2-oxohex-3-enoate;(E)-3-formyl-5-methylhex-3-enoic acid
CID 158424596
2-[(4-propan-2-ylphenyl)methylidene]butanal
CID 79014775
(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal
CID 15864632

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-methylpent-2-enal?
The IUPAC name of (E)-2-ethyl-4-methylpent-2-enal (CID 5463085) is (E)-2-ethyl-4-methylpent-2-enal.
What is the SMILES notation for (E)-2-ethyl-4-methylpent-2-enal?
The canonical SMILES for (E)-2-ethyl-4-methylpent-2-enal is CC/C(C=O)=C\C(C)C.
What is the InChIKey of (E)-2-ethyl-4-methylpent-2-enal?
The InChIKey is JBGRAQBQMATPJJ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(6-9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+.
What are the key properties of (E)-2-ethyl-4-methylpent-2-enal?
(E)-2-ethyl-4-methylpent-2-enal has a molecular weight of 126.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-methylpent-2-enal is sourced from PubChem (CID 5463085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).