(2SR,9aSR)-9a-butyl-2,4-dimethyl-7-methoxymethoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HCID 67401243
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Basic information

Standard SMILES
CCCCC12Cc3cc(OCOC)ccc3C1=C(C)C(=O)C(C)C2
InChIKey
HSOMSJVSQGTHHB-UHFFFAOYSA-N
Molecular formula
C21H28O3
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
(2SR,9aSR)-9a-butyl-2,4-dimethyl-7-methoxymethoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
IUPAC
9a-butyl-7-(methoxymethoxy)-2,4-dimethyl-2,9-dihydro-1H-fluoren-3-one

Names & synonyms

SCHEMBL2419794HSOMSJVSQGTHHB-UHFFFAOYSA-N(2SR,9aSR)-9a-butyl-2,4-dimethyl-7-methoxymethoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Database identifiers

PubChem CID
67401243

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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