6-Methoxy-2-nonaprenylphenol
Basic information
- CAS
10232-06-1- Standard SMILES
COc1c(O)c(C(CC=C(C)C)(CC=C(C)C)/C(CC=C(C)C)=C(\C)C(CC=C(C)C)CC=C(C)C)c(CC=C(C)C)c(CC=C(C)C)c1CC=C(C)C- InChIKey
XRYXRAOXVPWHHK-UHFFFAOYSA-N- Molecular formula
- C52H80O2
- Average molar mass
- 737.2 g/mol
- Monoisotopic mass
- 736.61583179
Overview
structure
Names & identifiers
- Preferred name
- 6-Methoxy-2-nonaprenylphenol
- IUPAC
- 2-methoxy-3,4,5-tris(3-methylbut-2-enyl)-6-[(6E)-2,7,11-trimethyl-5,6,8-tris(3-methylbut-2-enyl)dodeca-2,6,10-trien-5-yl]phenol
- English name
- 2-Methoxy-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonenyl)phenol
- Molecular formula
- C52H80O2
- Molecular weight
- 737.19
Names & synonyms
6-Methoxy-2-nonaprenylphenol10232-06-1RefChem:1049192-methoxy-3,4,5-tris(3-methylbut-2-enyl)-6-[(6E)-2,7,11-trimethyl-5,6,8-tris(3-methylbut-2-enyl)dodeca-2,6,10-trien-5-yl]phenol2-Methoxy-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonenyl)phenolPhenol, 2-methoxy-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl)-
Database identifiers
- CAS
10232-06-1- PubChem CID
- 3036620
Properties
Computed structural properties
- XLogP
- 18.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,390
Physicochemical properties
- Boiling point
- 772.3 · 772.3±48.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- pka
- 10.13 · 10.13±0.35(Predicted)
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Compound notes
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