(E)-3-ethyloct-6-enal

C10H18O — CID 18961605

IUPAC(E)-3-ethyloct-6-enal
SMILESC/C=C/CCC(CC)CC=O
InChIInChI=1S/C10H18O/c1-3-5-6-7-10(4-2)8-9-11/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+
InChIKeyWIQNXMVHSIIEFK-HWKANZROSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About (E)-3-ethyloct-6-enal

(E)-3-ethyloct-6-enal (PubChem CID 18961605) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-3-ethyloct-6-enal.

Molecular Properties

Compound Name(E)-3-ethyloct-6-enal
PubChem CID18961605
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-3-ethyloct-6-enal
SMILESC/C=C/CCC(CC)CC=O
InChIInChI=1S/C10H18O/c1-3-5-6-7-10(4-2)8-9-11/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+
InChIKeyWIQNXMVHSIIEFK-HWKANZROSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

Citronellal
CID 7794
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
(+-)-2,6-Dimethyl-5-heptenal
CID 61016
3-Cyclohexene-1-carboxaldehyde
CID 7508
alpha-Campholenal
CID 1252759
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
alpha-Cyclocitral
CID 94143
1-p-Menthen-9-al
CID 520440
cis-6-Nonenal
CID 5362720
(S)-(-)-Citronellal
CID 443157
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
Vertonal
CID 101150

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyloct-6-enal?
The IUPAC name of (E)-3-ethyloct-6-enal (CID 18961605) is (E)-3-ethyloct-6-enal.
What is the SMILES notation for (E)-3-ethyloct-6-enal?
The canonical SMILES for (E)-3-ethyloct-6-enal is C/C=C/CCC(CC)CC=O.
What is the InChIKey of (E)-3-ethyloct-6-enal?
The InChIKey is WIQNXMVHSIIEFK-HWKANZROSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-6-7-10(4-2)8-9-11/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-3-ethyloct-6-enal?
(E)-3-ethyloct-6-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyloct-6-enal is sourced from PubChem (CID 18961605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).