4,4-dimethyloct-5-enal

C10H18O — CID 544189

IUPAC4,4-dimethyloct-5-enal
SMILESCCC=CC(C)(C)CCC=O
InChIInChI=1S/C10H18O/c1-4-5-7-10(2,3)8-6-9-11/h5,7,9H,4,6,8H2,1-3H3
InChIKeyWIUZQWYBCQCAMV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About 4,4-dimethyloct-5-enal

4,4-dimethyloct-5-enal (PubChem CID 544189) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,4-dimethyloct-5-enal.

Molecular Properties

Compound Name4,4-dimethyloct-5-enal
PubChem CID544189
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,4-dimethyloct-5-enal
SMILESCCC=CC(C)(C)CCC=O
InChIInChI=1S/C10H18O/c1-4-5-7-10(2,3)8-6-9-11/h5,7,9H,4,6,8H2,1-3H3
InChIKeyWIUZQWYBCQCAMV-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

2,2-dimethylpentanedial
CID 15009267
(E)-2,2-dimethylhex-3-ene
CID 5357261
(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine
CID 167385062
(E,4R)-4-ethyl-4,7,7-trimethyloct-5-enal
CID 134969056
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
docosa-4,8,12,15,19-pentaenal
CID 54481142
(E)-heptadec-14-enal
CID 5367667
2,2-dimethyloct-5-enamide
CID 174985624
(7E,9E)-dodeca-7,9-dienal
CID 5368951
(11E)-hexadeca-11,13-dienal
CID 173074730
pentadeca-6,8,10,12-tetraenal
CID 78382191
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyloct-5-enal?
The IUPAC name of 4,4-dimethyloct-5-enal (CID 544189) is 4,4-dimethyloct-5-enal.
What is the SMILES notation for 4,4-dimethyloct-5-enal?
The canonical SMILES for 4,4-dimethyloct-5-enal is CCC=CC(C)(C)CCC=O.
What is the InChIKey of 4,4-dimethyloct-5-enal?
The InChIKey is WIUZQWYBCQCAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-7-10(2,3)8-6-9-11/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 4,4-dimethyloct-5-enal?
4,4-dimethyloct-5-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 4,4-dimethyloct-5-enal is sourced from PubChem (CID 544189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).