1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene

C25H36O — CID 10893564

IUPAC1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene
SMILESCC[C@H](C)COC(C)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H36O/c1-10-16(2)15-26-25(9,23-19(5)11-17(3)12-20(23)6)24-21(7)13-18(4)14-22(24)8/h11-14,16H,10,15H2,1-9H3/t16-/m0/s1
InChIKeyMGNOOAUIZYPCLJ-INIZCTEOSA-N
MW352.56 g/mol
LogP6.86
Rot. Bonds6

About 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene

1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene (PubChem CID 10893564) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene
PubChem CID10893564
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene
SMILESCC[C@H](C)COC(C)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H36O/c1-10-16(2)15-26-25(9,23-19(5)11-17(3)12-20(23)6)24-21(7)13-18(4)14-22(24)8/h11-14,16H,10,15H2,1-9H3/t16-/m0/s1
InChIKeyMGNOOAUIZYPCLJ-INIZCTEOSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene (CID 10893564) is 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene is CC[C@H](C)COC(C)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene?
The InChIKey is MGNOOAUIZYPCLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H36O/c1-10-16(2)15-26-25(9,23-19(5)11-17(3)12-20(23)6)24-21(7)13-18(4)14-22(24)8/h11-14,16H,10,15H2,1-9H3/t16-/m0/s1.
What are the key properties of 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene?
1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene has a molecular weight of 352.56 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[1-[(2S)-2-methylbutoxy]-1-(2,4,6-trimethylphenyl)ethyl]benzene is sourced from PubChem (CID 10893564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).