(E)-2-ethyl-3-methylhex-4-enal

C9H16O — CID 15312272

IUPAC(E)-2-ethyl-3-methylhex-4-enal
SMILESC/C=C/C(C)C(C=O)CC
InChIInChI=1S/C9H16O/c1-4-6-8(3)9(5-2)7-10/h4,6-9H,5H2,1-3H3/b6-4+
InChIKeyOFVFYCQDYZVYBC-GQCTYLIASA-N
MW140.23 g/mol
LogP2.42
Rot. Bonds4

About (E)-2-ethyl-3-methylhex-4-enal

(E)-2-ethyl-3-methylhex-4-enal (PubChem CID 15312272) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-2-ethyl-3-methylhex-4-enal.

Molecular Properties

Compound Name(E)-2-ethyl-3-methylhex-4-enal
PubChem CID15312272
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-2-ethyl-3-methylhex-4-enal
SMILESC/C=C/C(C)C(C=O)CC
InChIInChI=1S/C9H16O/c1-4-6-8(3)9(5-2)7-10/h4,6-9H,5H2,1-3H3/b6-4+
InChIKeyOFVFYCQDYZVYBC-GQCTYLIASA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.42
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

(Z)-3-ethyl-2-methylhex-4-enal
CID 143572943
(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
CID 143165372
4-ethyl-5-methyldec-2-ene
CID 91156622
4-propan-2-ylhept-2-ene
CID 54114231
N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
CID 161287310
methane;(E,4R)-4-propan-2-ylhept-2-ene
CID 158370601
(E)-2-ethylpent-3-enoic acid
CID 12678748
(E)-4-methylpent-2-ene;propane
CID 142019888
(E,2R,3S)-2-methyl-3-propylhept-4-enal
CID 118242772
5-butan-2-ylocta-1,6-diene
CID 123143633
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
2-formyl-3-(2-oxoethyl)hex-4-enoic acid
CID 151152838

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-3-methylhex-4-enal?
The IUPAC name of (E)-2-ethyl-3-methylhex-4-enal (CID 15312272) is (E)-2-ethyl-3-methylhex-4-enal.
What is the SMILES notation for (E)-2-ethyl-3-methylhex-4-enal?
The canonical SMILES for (E)-2-ethyl-3-methylhex-4-enal is C/C=C/C(C)C(C=O)CC.
What is the InChIKey of (E)-2-ethyl-3-methylhex-4-enal?
The InChIKey is OFVFYCQDYZVYBC-GQCTYLIASA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-8(3)9(5-2)7-10/h4,6-9H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-2-ethyl-3-methylhex-4-enal?
(E)-2-ethyl-3-methylhex-4-enal has a molecular weight of 140.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-3-methylhex-4-enal is sourced from PubChem (CID 15312272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).