4-ethyl-3,3-dimethylhexanal

C10H20O — CID 174632708

IUPAC4-ethyl-3,3-dimethylhexanal
SMILESCCC(CC)C(C)(C)CC=O
InChIInChI=1S/C10H20O/c1-5-9(6-2)10(3,4)7-8-11/h8-9H,5-7H2,1-4H3
InChIKeyAPMNSSQYNOFIAR-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.04
Rot. Bonds5

About 4-ethyl-3,3-dimethylhexanal

4-ethyl-3,3-dimethylhexanal (PubChem CID 174632708) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-ethyl-3,3-dimethylhexanal.

Molecular Properties

Compound Name4-ethyl-3,3-dimethylhexanal
PubChem CID174632708
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-ethyl-3,3-dimethylhexanal
SMILESCCC(CC)C(C)(C)CC=O
InChIInChI=1S/C10H20O/c1-5-9(6-2)10(3,4)7-8-11/h8-9H,5-7H2,1-4H3
InChIKeyAPMNSSQYNOFIAR-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.04
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

3,3-dimethyl-4-(methylamino)-5-oxohexanal
CID 20645000
3-methyl-3-sulfanylbutanal
CID 527441
2-ethyl-3,3-dimethylpentanal
CID 172617213
3-hydroxy-4-methoxy-3-methylpentanal
CID 114795398
3-ethyl-3-sulfanylpentanal
CID 19993473
4-amino-3,3-dimethylbutanal
CID 18683027
3-sulfanylpentanal
CID 527447
4-ethoxy-3,3-dimethylbutanal
CID 115011601
3-ethyl-2,2-difluorohexane
CID 155700319
(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
CID 58573491
4-sulfanylhexanal
CID 174812634
CID 91566338
CID 91566338

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-dimethylhexanal?
The IUPAC name of 4-ethyl-3,3-dimethylhexanal (CID 174632708) is 4-ethyl-3,3-dimethylhexanal.
What is the SMILES notation for 4-ethyl-3,3-dimethylhexanal?
The canonical SMILES for 4-ethyl-3,3-dimethylhexanal is CCC(CC)C(C)(C)CC=O.
What is the InChIKey of 4-ethyl-3,3-dimethylhexanal?
The InChIKey is APMNSSQYNOFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-9(6-2)10(3,4)7-8-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-3,3-dimethylhexanal?
4-ethyl-3,3-dimethylhexanal has a molecular weight of 156.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-dimethylhexanal is sourced from PubChem (CID 174632708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).