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1-Dimethoxymethyl-4-propyl-benzene

HCID 20549038
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCc1ccc(C(OC)OC)cc1
InChIKey
MEFODBYPVOKGPC-UHFFFAOYSA-N
Molecular formula
C12H18O2
Average molar mass
194.27 g/mol

Names & identifiers

Preferred name
1-Dimethoxymethyl-4-propyl-benzene
IUPAC
1-(dimethoxymethyl)-4-propylbenzene

Names & synonyms

SCHEMBL1781027MEFODBYPVOKGPC-UHFFFAOYSA-N1-dimethoxymethyl-4-propyl-benzene

Database identifiers

PubChem CID
20549038
Nikkaji
J3.265.866K

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
135

Related reactions

4 records
New reaction record
HRID 804986 reaction equation
HRID 804986As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1174066 reaction equation
HRID 1174066As productuspto-grants-2010_11
HRID 1920534 reaction equation
HRID 1920534As productuspto-grants-2012_05
HRID 1929292 reaction equation
HRID 1929292As productuspto-grants-2012_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes