methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)

C40H64 — CID 159581876

IUPACmethane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
SMILESC.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/3C13H20.CH4/c3*1-9(2)12-7-6-11(5)13(8-12)10(3)4;/h3*6-10H,1-5H3;1H4
InChIKeyMJCSAJGDYUVQQV-UHFFFAOYSA-N
MW544.95 g/mol
LogP13.36
Rot. Bonds6

About methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)

methane;tris(1-methyl-2,4-di(propan-2-yl)benzene) (PubChem CID 159581876) has the molecular formula C40H64 and a molecular weight of 544.95 g/mol. Its IUPAC name is methane;tris(1-methyl-2,4-di(propan-2-yl)benzene).

Molecular Properties

Compound Namemethane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
PubChem CID159581876
Molecular FormulaC40H64
Molecular Weight544.95 g/mol
Exact Mass544.50
IUPAC Namemethane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
SMILESC.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/3C13H20.CH4/c3*1-9(2)12-7-6-11(5)13(8-12)10(3)4;/h3*6-10H,1-5H3;1H4
InChIKeyMJCSAJGDYUVQQV-UHFFFAOYSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.95
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
1-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 116859807
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
1-hydrazinyl-N,N-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116914916
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714

Frequently Asked Questions

What is the IUPAC name of methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)?
The IUPAC name of methane;tris(1-methyl-2,4-di(propan-2-yl)benzene) (CID 159581876) is methane;tris(1-methyl-2,4-di(propan-2-yl)benzene).
What is the SMILES notation for methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)?
The canonical SMILES for methane;tris(1-methyl-2,4-di(propan-2-yl)benzene) is C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)?
The InChIKey is MJCSAJGDYUVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H20.CH4/c3*1-9(2)12-7-6-11(5)13(8-12)10(3)4;/h3*6-10H,1-5H3;1H4.
What are the key properties of methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)?
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene) has a molecular weight of 544.95 g/mol, XLogP of 13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1-methyl-2,4-di(propan-2-yl)benzene) is sourced from PubChem (CID 159581876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).