5-ethyl-3-methylhept-4-enal

C10H18O — CID 164909436

IUPAC5-ethyl-3-methylhept-4-enal
SMILESCCC(=CC(C)CC=O)CC
InChIInChI=1S/C10H18O/c1-4-10(5-2)8-9(3)6-7-11/h7-9H,4-6H2,1-3H3
InChIKeyUVVIUGWQFUUNHV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About 5-ethyl-3-methylhept-4-enal

5-ethyl-3-methylhept-4-enal (PubChem CID 164909436) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-ethyl-3-methylhept-4-enal.

Molecular Properties

Compound Name5-ethyl-3-methylhept-4-enal
PubChem CID164909436
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-ethyl-3-methylhept-4-enal
SMILESCCC(=CC(C)CC=O)CC
InChIInChI=1S/C10H18O/c1-4-10(5-2)8-9(3)6-7-11/h7-9H,4-6H2,1-3H3
InChIKeyUVVIUGWQFUUNHV-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

3,7-dimethyl-5-(2-methylpropyl)oct-4-enal
CID 164909441
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703
butan-2-one;3-methylbutanal
CID 158821469
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienal
CID 53496487
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906
2-ethyl-4-methylpent-2-en-1-ol
CID 79323762
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
3-ethyl-4-methylpentanal
CID 57153829
potassium;hydride;3-methylbutanal
CID 173363476
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 11174258
5-ethylhept-4-en-3-amine;hydrochloride
CID 173326554
(E)-2-ethyl-4-methylpent-2-enal
CID 5463085

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylhept-4-enal?
The IUPAC name of 5-ethyl-3-methylhept-4-enal (CID 164909436) is 5-ethyl-3-methylhept-4-enal.
What is the SMILES notation for 5-ethyl-3-methylhept-4-enal?
The canonical SMILES for 5-ethyl-3-methylhept-4-enal is CCC(=CC(C)CC=O)CC.
What is the InChIKey of 5-ethyl-3-methylhept-4-enal?
The InChIKey is UVVIUGWQFUUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-10(5-2)8-9(3)6-7-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-3-methylhept-4-enal?
5-ethyl-3-methylhept-4-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylhept-4-enal is sourced from PubChem (CID 164909436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).