3-ethylideneoct-4-enal

C10H16O — CID 57277151

IUPAC3-ethylideneoct-4-enal
SMILESCC=C(C=CCCC)CC=O
InChIInChI=1S/C10H16O/c1-3-5-6-7-10(4-2)8-9-11/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeySFTVNJADZGBMKP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds5

About 3-ethylideneoct-4-enal

3-ethylideneoct-4-enal (PubChem CID 57277151) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethylideneoct-4-enal.

Molecular Properties

Compound Name3-ethylideneoct-4-enal
PubChem CID57277151
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-ethylideneoct-4-enal
SMILESCC=C(C=CCCC)CC=O
InChIInChI=1S/C10H16O/c1-3-5-6-7-10(4-2)8-9-11/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeySFTVNJADZGBMKP-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(2E,4Z)-octa-2,4-dien-3-ol
CID 144538239
(E)-hex-2-enamide;hydrochloride
CID 141291310
(E)-6-methylidenenon-4-ene
CID 14364497
N-chlorohex-2-enamide
CID 140536866
(E)-1-fluorohept-3-en-2-one
CID 71502223
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
2,2-diethyl-3-oxooct-4-enal
CID 57094676

Frequently Asked Questions

What is the IUPAC name of 3-ethylideneoct-4-enal?
The IUPAC name of 3-ethylideneoct-4-enal (CID 57277151) is 3-ethylideneoct-4-enal.
What is the SMILES notation for 3-ethylideneoct-4-enal?
The canonical SMILES for 3-ethylideneoct-4-enal is CC=C(C=CCCC)CC=O.
What is the InChIKey of 3-ethylideneoct-4-enal?
The InChIKey is SFTVNJADZGBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-7-10(4-2)8-9-11/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 3-ethylideneoct-4-enal?
3-ethylideneoct-4-enal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylideneoct-4-enal is sourced from PubChem (CID 57277151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).