2,6-dimethyloctanal

C10H20O — CID 5463910

IUPAC2,6-dimethyloctanal
SMILESCCC(C)CCCC(C)C=O
InChIInChI=1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3
InChIKeyCBOBADCVMLMQRW-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.04
Rot. Bonds6

About 2,6-dimethyloctanal

2,6-dimethyloctanal (PubChem CID 5463910) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,6-dimethyloctanal.

Molecular Properties

Compound Name2,6-dimethyloctanal
PubChem CID5463910
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,6-dimethyloctanal
SMILESCCC(C)CCCC(C)C=O
InChIInChI=1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3
InChIKeyCBOBADCVMLMQRW-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloctanal?
The IUPAC name of 2,6-dimethyloctanal (CID 5463910) is 2,6-dimethyloctanal.
What is the SMILES notation for 2,6-dimethyloctanal?
The canonical SMILES for 2,6-dimethyloctanal is CCC(C)CCCC(C)C=O.
What is the InChIKey of 2,6-dimethyloctanal?
The InChIKey is CBOBADCVMLMQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyloctanal?
2,6-dimethyloctanal has a molecular weight of 156.27 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloctanal is sourced from PubChem (CID 5463910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).