2-ethyl-2,5-dimethylhex-4-enal

C10H18O — CID 12923924

IUPAC2-ethyl-2,5-dimethylhex-4-enal
SMILESCCC(C)(C=O)CC=C(C)C
InChIInChI=1S/C10H18O/c1-5-10(4,8-11)7-6-9(2)3/h6,8H,5,7H2,1-4H3
InChIKeyLOQNRQKPDZGEBZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds4

About 2-ethyl-2,5-dimethylhex-4-enal

2-ethyl-2,5-dimethylhex-4-enal (PubChem CID 12923924) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethylhex-4-enal.

Molecular Properties

Compound Name2-ethyl-2,5-dimethylhex-4-enal
PubChem CID12923924
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethyl-2,5-dimethylhex-4-enal
SMILESCCC(C)(C=O)CC=C(C)C
InChIInChI=1S/C10H18O/c1-5-10(4,8-11)7-6-9(2)3/h6,8H,5,7H2,1-4H3
InChIKeyLOQNRQKPDZGEBZ-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+-)-2,6-Dimethyl-5-heptenal
CID 61016
alpha-Campholenal
CID 1252759
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
Isocitral
CID 6428928
2,5-Dimethyl-2-vinyl-4-hexenal
CID 92018
5,9-Dimethyl-4,8-decadienal
CID 101854
3,6-Octadienal, 3,7-dimethyl-, (Z)-
CID 20837773
3,6-Octadienal, 3,7-dimethyl-
CID 108355
(R,R)-chrysanthemal
CID 6432223
2,6,10-Trimethylundeca-5,9-dienal
CID 91115
4-Heptenal, 2,5,6-trimethyl-
CID 163345
(S)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde
CID 90969

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethylhex-4-enal?
The IUPAC name of 2-ethyl-2,5-dimethylhex-4-enal (CID 12923924) is 2-ethyl-2,5-dimethylhex-4-enal.
What is the SMILES notation for 2-ethyl-2,5-dimethylhex-4-enal?
The canonical SMILES for 2-ethyl-2,5-dimethylhex-4-enal is CCC(C)(C=O)CC=C(C)C.
What is the InChIKey of 2-ethyl-2,5-dimethylhex-4-enal?
The InChIKey is LOQNRQKPDZGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10(4,8-11)7-6-9(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 2-ethyl-2,5-dimethylhex-4-enal?
2-ethyl-2,5-dimethylhex-4-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethylhex-4-enal is sourced from PubChem (CID 12923924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).