4,4-diethyl-7-methyloct-6-enal

C13H24O — CID 156744468

IUPAC4,4-diethyl-7-methyloct-6-enal
SMILESCCC(CC)(CC=C(C)C)CCC=O
InChIInChI=1S/C13H24O/c1-5-13(6-2,9-7-11-14)10-8-12(3)4/h8,11H,5-7,9-10H2,1-4H3
InChIKeyRSLROKOIXIXJSO-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds7

About 4,4-diethyl-7-methyloct-6-enal

4,4-diethyl-7-methyloct-6-enal (PubChem CID 156744468) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4,4-diethyl-7-methyloct-6-enal.

Molecular Properties

Compound Name4,4-diethyl-7-methyloct-6-enal
PubChem CID156744468
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4,4-diethyl-7-methyloct-6-enal
SMILESCCC(CC)(CC=C(C)C)CCC=O
InChIInChI=1S/C13H24O/c1-5-13(6-2,9-7-11-14)10-8-12(3)4/h8,11H,5-7,9-10H2,1-4H3
InChIKeyRSLROKOIXIXJSO-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
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

4,4,8-trimethylnon-7-enal
CID 121006941
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
(3S)-3-amino-3,7-dimethyloct-6-enal
CID 147415648
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
2-ethyl-2,5-dimethylhex-4-en-1-amine
CID 130514715
(3R)-3-butyl-3,7-dimethyloct-6-enal
CID 132528865
(2E)-3,4,4,7-tetramethylocta-2,6-dienal
CID 12813408
2-(3,7-dimethyl-1-oxooct-6-en-3-yl)sulfanylacetic acid
CID 118437193
2-ethyl-2,3,7-trimethyloct-6-enal
CID 54472042
(4R)-4-hydroxy-4-methylhexanal;1-methylpyrrolidine
CID 168982003
2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
CID 89309961
(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
CID 153352209

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-7-methyloct-6-enal?
The IUPAC name of 4,4-diethyl-7-methyloct-6-enal (CID 156744468) is 4,4-diethyl-7-methyloct-6-enal.
What is the SMILES notation for 4,4-diethyl-7-methyloct-6-enal?
The canonical SMILES for 4,4-diethyl-7-methyloct-6-enal is CCC(CC)(CC=C(C)C)CCC=O.
What is the InChIKey of 4,4-diethyl-7-methyloct-6-enal?
The InChIKey is RSLROKOIXIXJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-13(6-2,9-7-11-14)10-8-12(3)4/h8,11H,5-7,9-10H2,1-4H3.
What are the key properties of 4,4-diethyl-7-methyloct-6-enal?
4,4-diethyl-7-methyloct-6-enal has a molecular weight of 196.33 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-7-methyloct-6-enal is sourced from PubChem (CID 156744468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).