Basic information
- CAS
94031-02-4- Standard SMILES
CCCCCCCCC1(CC2(CCCCCCCC)CC=CC=C2O)CC=CC=C1O- InChIKey
PTXMIYIFKJBRSP-UHFFFAOYSA-N- Molecular formula
- C29H48O2
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.36543077
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(octylphenol)
- IUPAC
- 6-[(2-hydroxy-1-octylcyclohexa-2,4-dien-1-yl)methyl]-6-octylcyclohexa-1,3-dien-1-ol
- English name
- 2,2'-methylenebis[octylphenol]
- Molecular formula
- C29H46O2
- Molecular weight
- 426.67434
Names & synonyms
2,2'-Methylenebis(octylphenol)94031-02-4EINECS 301-706-4DTXSID40916616PTXMIYIFKJBRSP-UHFFFAOYSA-N6,6'-Methylenebis(6-octylcyclohexa-1,3-dien-1-ol)2,2'-methylenebis[octylphenol]
Database identifiers
- CAS
94031-02-4- PubChem CID
- 44144807
- DTXSID
DTXSID40916616- EC Number
- 301-706-4
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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