4-[(5-Methylhexyl)oxy]butanal

HCID 86642016
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Basic information

Standard SMILES
CC(C)CCCCOCCCC=O
InChIKey
DIVBNMIMYXODLC-UHFFFAOYSA-N
Molecular formula
C11H22O2
Average molar mass
186.29 g/mol
Monoisotopic mass
186.16197994

Names & identifiers

Preferred name
4-[(5-Methylhexyl)oxy]butanal
IUPAC
4-(5-methylhexoxy)butanal

Names & synonyms

SCHEMBL2157474-[(5-methylhexyl)oxy]butanalDIVBNMIMYXODLC-UHFFFAOYSA-N

Database identifiers

PubChem CID
86642016

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
13

Related reactions

1 records
New reaction record

Linked notes

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