4-Hydroxy-3-(9-hydroxy-9-pentyltetradecyl)naphthalene-1,2-dione
Basic information
- CAS
572-97-4- Standard SMILES
CCCCCC(O)(CCCCC)CCCCCCCCC1=C(O)c2ccccc2C(=O)C1=O- InChIKey
ZGDKVXNTDIAIEZ-UHFFFAOYSA-N- Molecular formula
- C29H44O4
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.32395988
Names & identifiers
- Preferred name
- 4-Hydroxy-3-(9-hydroxy-9-pentyltetradecyl)naphthalene-1,2-dione
- IUPAC
- 4-hydroxy-3-(9-hydroxy-9-pentyltetradecyl)naphthalene-1,2-dione
- English name
- 2-Hydroxy-3-(9-hydroxy-9-pentyltetradecyl)-1,4-naphthalenedione
- Molecular formula
- C29H44O4
- Molecular weight
- 456.66
Names & synonyms
572-97-4Lapinone4-hydroxy-3-(9-hydroxy-9-pentyltetradecyl)naphthalene-1,2-dioneM 2350CHEMBL1970173SCHEMBL11018274DTXSID60277695NSC3578NSC-3578CN 10443NCI60_003244WR 26041
Show more names
2-Hydroxy-3-(9-hydroxy-9-pentyltetradecyl)-1,4-naphthalenedione1,4-Naphthalenedione, 2-hydroxy-3-(9-hydroxy-9-pentyltetradecyl)-
M-24501, 2-hydroxy-3-(9-hydroxy-9-pentyltetradecyl)-2-hydroxy-3-(9-hydroxy-9-pentyltetradecyl)1,4-naphthoquinone1,4-Naphthoquinone, 2-hydroxy-3-(9-hydroxy-9-pentyl-tetradecyl)-2-hydroxy-3-(9-hydroxy-9-pentyl-tetradecyl)naphthalene-1,4-dione
Database identifiers
- CAS
572-97-4- PubChem CID
- 220607
- DTXSID
DTXSID60277695- ChEMBL
CHEMBL1970173- Nikkaji
- J6.547A
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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