1-methyl-2,3,4-tri(propan-2-yl)benzene

C16H26 — CID 22369929

IUPAC1-methyl-2,3,4-tri(propan-2-yl)benzene
SMILESCc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C16H26/c1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6/h8-12H,1-7H3
InChIKeyVKMMGNUIGOMSIX-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.37
Rot. Bonds3

About 1-methyl-2,3,4-tri(propan-2-yl)benzene

1-methyl-2,3,4-tri(propan-2-yl)benzene (PubChem CID 22369929) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-methyl-2,3,4-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2,3,4-tri(propan-2-yl)benzene
PubChem CID22369929
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-methyl-2,3,4-tri(propan-2-yl)benzene
SMILESCc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C16H26/c1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6/h8-12H,1-7H3
InChIKeyVKMMGNUIGOMSIX-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
1,2-dimethyl-5,6-di(propan-2-yl)naphthalene
CID 142283660
[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
CID 19977431
6-methyl-1,2,7-tri(propan-2-yl)naphthalene
CID 142283671
1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
2,3-dichloro-1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 161089123
(2,3-dimethyl-6-propan-2-ylphenyl)phosphane
CID 135300466
1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene
CID 158113771
2-(2-amino-1-hydroxyethyl)-6-methyl-3-propan-2-ylphenol
CID 84677143
8-methyl-5-propan-2-yl-1,4-benzodioxine
CID 145358856
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4-tri(propan-2-yl)benzene?
The IUPAC name of 1-methyl-2,3,4-tri(propan-2-yl)benzene (CID 22369929) is 1-methyl-2,3,4-tri(propan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2,3,4-tri(propan-2-yl)benzene?
The canonical SMILES for 1-methyl-2,3,4-tri(propan-2-yl)benzene is Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 1-methyl-2,3,4-tri(propan-2-yl)benzene?
The InChIKey is VKMMGNUIGOMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6/h8-12H,1-7H3.
What are the key properties of 1-methyl-2,3,4-tri(propan-2-yl)benzene?
1-methyl-2,3,4-tri(propan-2-yl)benzene has a molecular weight of 218.38 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4-tri(propan-2-yl)benzene is sourced from PubChem (CID 22369929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).