CAS: 120-95-6
Name: 2,4-bis(2-methylbutan-2-yl)phenol
SMILES:
CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CCMolecular Processing
Molecular formula
C16H26O
Molecular weight
234.38
Exact mass
234.1984
XLogP
4.77
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
74.74
Supplementary Information
InChIKey: WMVJWKURWRGJCI-UHFFFAOYSA-N
Synonyme
2,4-Di-tert-pentylphenol2,4-Di-tert-amylphenolPhenol, 2,4-bis(1,1-dimethylpropyl)-2,4-Bis(1,1-dimethylpropyl)phenol2,4-bis(2-methylbutan-2-yl)phenol2,4-DI-T-PENTYLPHENOLHSDB 5588DTXSID9026974EINECS 204-439-0NSC 158351UNII-852F1HP88HBRN 23702742,4-di(1,1-dimethylpropyl)phenol2,4-di-tert-amyl phenol2,4-di-tert-PentylphenylNSC-158351DTXCID106974WMVJWKURWRGJCI-UHFFFAOYSA-3-06-00-02085 (Beilstein Handbook Reference)2,4-BIS(TERT-PENTYL)PHENOL2,4-DI-T-PENTYLPHENOL [HSDB]Ditertamylphenol2,4Ditertamylphenol2,4DitertpentylphenolRefChem:82238Phenol, 2,4ditertpentylPhenol, 2,4bis(1,1dimethylpropyl)204-439-0InChI=1/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3WMVJWKURWRGJCI-UHFFFAOYSA-N
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