propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene

C57H92O — CID 161101106

IUPACpropan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene
SMILESCC(C)O.Cc1c(C(C)C)c(C)c(C(C)C)c(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1cc(C)c(C(C)C)c(C)c1C(C)C.Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H30.C15H24.C12H18.C9H12.C3H8O/c1-10(2)16-13(7)17(11(3)4)15(9)18(12(5)6)14(16)8;1-9(2)14-11(5)8-12(6)15(10(3)4)13(14)7;1-8(2)12-10(4)6-9(3)7-11(12)5;1-7-4-8(2)6-9(3)5-7;1-3(2)4/h10-12H,1-9H3;8-10H,1-7H3;6-8H,1-5H3;4-6H,1-3H3;3-4H,1-2H3
InChIKeyUIKXQMCOKYOPHB-UHFFFAOYSA-N
MW793.36 g/mol
LogP17.57
Rot. Bonds6

About propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene

propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene (PubChem CID 161101106) has the molecular formula C57H92O and a molecular weight of 793.36 g/mol. Its IUPAC name is propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene.

Molecular Properties

Compound Namepropan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene
PubChem CID161101106
Molecular FormulaC57H92O
Molecular Weight793.36 g/mol
Exact Mass792.71
IUPAC Namepropan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene
SMILESCC(C)O.Cc1c(C(C)C)c(C)c(C(C)C)c(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1cc(C)c(C(C)C)c(C)c1C(C)C.Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H30.C15H24.C12H18.C9H12.C3H8O/c1-10(2)16-13(7)17(11(3)4)15(9)18(12(5)6)14(16)8;1-9(2)14-11(5)8-12(6)15(10(3)4)13(14)7;1-8(2)12-10(4)6-9(3)7-11(12)5;1-7-4-8(2)6-9(3)5-7;1-3(2)4/h10-12H,1-9H3;8-10H,1-7H3;6-8H,1-5H3;4-6H,1-3H3;3-4H,1-2H3
InChIKeyUIKXQMCOKYOPHB-UHFFFAOYSA-N
XLogP17.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.36
LogP ≤ 517.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene with MolForge

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Related Compounds

1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605
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CID 121008425
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
CID 70632558
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
CID 56621266
CID 56621266

Frequently Asked Questions

What is the IUPAC name of propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene?
The IUPAC name of propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene (CID 161101106) is propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene.
What is the SMILES notation for propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene?
The canonical SMILES for propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene is CC(C)O.Cc1c(C(C)C)c(C)c(C(C)C)c(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1cc(C)c(C(C)C)c(C)c1C(C)C.Cc1cc(C)cc(C)c1.
What is the InChIKey of propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene?
The InChIKey is UIKXQMCOKYOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C15H24.C12H18.C9H12.C3H8O/c1-10(2)16-13(7)17(11(3)4)15(9)18(12(5)6)14(16)8;1-9(2)14-11(5)8-12(6)15(10(3)4)13(14)7;1-8(2)12-10(4)6-9(3)7-11(12)5;1-7-4-8(2)6-9(3)5-7;1-3(2)4/h10-12H,1-9H3;8-10H,1-7H3;6-8H,1-5H3;4-6H,1-3H3;3-4H,1-2H3.
What are the key properties of propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene?
propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene has a molecular weight of 793.36 g/mol, XLogP of 17.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene is sourced from PubChem (CID 161101106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).