(2E)-2-ethylidenehexanal

C8H14O — CID 5463946

IUPAC(2E)-2-ethylidenehexanal
SMILESC/C=C(/C=O)CCCC
InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+
InChIKeyRAPHJZMCZKGDSB-XBXARRHUSA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds4

About (2E)-2-ethylidenehexanal

(2E)-2-ethylidenehexanal (PubChem CID 5463946) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2E)-2-ethylidenehexanal.

Molecular Properties

Compound Name(2E)-2-ethylidenehexanal
PubChem CID5463946
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2E)-2-ethylidenehexanal
SMILESC/C=C(/C=O)CCCC
InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+
InChIKeyRAPHJZMCZKGDSB-XBXARRHUSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidenehexanal?
The IUPAC name of (2E)-2-ethylidenehexanal (CID 5463946) is (2E)-2-ethylidenehexanal.
What is the SMILES notation for (2E)-2-ethylidenehexanal?
The canonical SMILES for (2E)-2-ethylidenehexanal is C/C=C(/C=O)CCCC.
What is the InChIKey of (2E)-2-ethylidenehexanal?
The InChIKey is RAPHJZMCZKGDSB-XBXARRHUSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+.
What are the key properties of (2E)-2-ethylidenehexanal?
(2E)-2-ethylidenehexanal has a molecular weight of 126.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenehexanal is sourced from PubChem (CID 5463946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).