tris(1,2-ditert-butylbenzene);methanol

C43H70O — CID 175055057

IUPACtris(1,2-ditert-butylbenzene);methanol
SMILESCC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CO
InChIInChI=1S/3C14H22.CH4O/c3*1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-2/h3*7-10H,1-6H3;2H,1H3
InChIKeyUNLTZEAPNATEPJ-UHFFFAOYSA-N
MW603.03 g/mol
LogP12.45
Rot. Bonds

About tris(1,2-ditert-butylbenzene);methanol

tris(1,2-ditert-butylbenzene);methanol (PubChem CID 175055057) has the molecular formula C43H70O and a molecular weight of 603.03 g/mol. Its IUPAC name is tris(1,2-ditert-butylbenzene);methanol.

Molecular Properties

Compound Nametris(1,2-ditert-butylbenzene);methanol
PubChem CID175055057
Molecular FormulaC43H70O
Molecular Weight603.03 g/mol
Exact Mass602.54
IUPAC Nametris(1,2-ditert-butylbenzene);methanol
SMILESCC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CO
InChIInChI=1S/3C14H22.CH4O/c3*1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-2/h3*7-10H,1-6H3;2H,1H3
InChIKeyUNLTZEAPNATEPJ-UHFFFAOYSA-N
XLogP12.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.03
LogP ≤ 512.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 175472927
CID 175472927
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
CID 172777673
CID 172777673
(2-tert-butylphenyl)-diphenylmethanol
CID 139660969
potassium;2-tert-butylphenol;hydride
CID 174648142
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297
2-tert-butylphenol;N-methylmethanamine
CID 161387965
2-tert-butylphenol;toluene
CID 175493501
2-tert-butylphenol;2-methylprop-1-ene
CID 160954539
1-tert-butyl-2-iodobenzene
CID 637957
(2-tert-butylphenyl)azanium
CID 23026339

Frequently Asked Questions

What is the IUPAC name of tris(1,2-ditert-butylbenzene);methanol?
The IUPAC name of tris(1,2-ditert-butylbenzene);methanol (CID 175055057) is tris(1,2-ditert-butylbenzene);methanol.
What is the SMILES notation for tris(1,2-ditert-butylbenzene);methanol?
The canonical SMILES for tris(1,2-ditert-butylbenzene);methanol is CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CO.
What is the InChIKey of tris(1,2-ditert-butylbenzene);methanol?
The InChIKey is UNLTZEAPNATEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H22.CH4O/c3*1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-2/h3*7-10H,1-6H3;2H,1H3.
What are the key properties of tris(1,2-ditert-butylbenzene);methanol?
tris(1,2-ditert-butylbenzene);methanol has a molecular weight of 603.03 g/mol, XLogP of 12.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2-ditert-butylbenzene);methanol is sourced from PubChem (CID 175055057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).