Basic information
- Standard SMILES
CCCCCc1cc(OCOC)c2c(c1)OC(C)(C)C(CCC(=O)O)=C2C- InChIKey
HIIVFSNJEGQVAA-UHFFFAOYSA-N- Molecular formula
- C22H32O5
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 5-(Methoxymethoxy)-2,2,4-trimethyl-7-pentyl-2H-1-benzopyran-3-propanoic acid
- IUPAC
- 3-[5-(methoxymethoxy)-2,2,4-trimethyl-7-pentylchromen-3-yl]propanoic acid
Names & synonyms
SCHEMBL8119753HIIVFSNJEGQVAA-UHFFFAOYSA-N5-(Methoxymethoxy)-2,2,4-trimethyl-7-pentyl-2H-1-benzopyran-3-propanoic acid
Database identifiers
- PubChem CID
- 18970144
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 525
Related reactions
1 records
Compound notes
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