4-ethyl-2,8-dimethylnonanal

C13H26O — CID 122553306

IUPAC4-ethyl-2,8-dimethylnonanal
SMILESCCC(CCCC(C)C)CC(C)C=O
InChIInChI=1S/C13H26O/c1-5-13(9-12(4)10-14)8-6-7-11(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPMHGIHQSFDTKFM-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds8

About 4-ethyl-2,8-dimethylnonanal

4-ethyl-2,8-dimethylnonanal (PubChem CID 122553306) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-ethyl-2,8-dimethylnonanal.

Molecular Properties

Compound Name4-ethyl-2,8-dimethylnonanal
PubChem CID122553306
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-ethyl-2,8-dimethylnonanal
SMILESCCC(CCCC(C)C)CC(C)C=O
InChIInChI=1S/C13H26O/c1-5-13(9-12(4)10-14)8-6-7-11(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPMHGIHQSFDTKFM-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14671060
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10-ethyl-2,6,12-trimethyloctacosane
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6-ethyl-4,9-dimethyldec-2-ene
CID 91215867
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
4-(aminomethyl)-2-hydroxy-8-methylnonanal
CID 126625118
11-ethyl-2,6,9-trimethyltridecane
CID 123326718
3,7-diethylnonane
CID 22089120
4-ethyl-2,7-dimethyloctane
CID 53423923
10-ethyl-2-methyltridecane
CID 173195663
(2R,4S)-2,4,6-trimethylheptanal
CID 170849644

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,8-dimethylnonanal?
The IUPAC name of 4-ethyl-2,8-dimethylnonanal (CID 122553306) is 4-ethyl-2,8-dimethylnonanal.
What is the SMILES notation for 4-ethyl-2,8-dimethylnonanal?
The canonical SMILES for 4-ethyl-2,8-dimethylnonanal is CCC(CCCC(C)C)CC(C)C=O.
What is the InChIKey of 4-ethyl-2,8-dimethylnonanal?
The InChIKey is PMHGIHQSFDTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-13(9-12(4)10-14)8-6-7-11(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-ethyl-2,8-dimethylnonanal?
4-ethyl-2,8-dimethylnonanal has a molecular weight of 198.35 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,8-dimethylnonanal is sourced from PubChem (CID 122553306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).