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

C19H32 — CID 140816630

IUPAC1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
SMILESCC(C)Cc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C19H32/c1-12(2)11-16-9-10-17(13(3)4)19(15(7)8)18(16)14(5)6/h9-10,12-15H,11H2,1-8H3
InChIKeyHLFZVCLRZLFVGR-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.26
Rot. Bonds5

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

1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene (PubChem CID 140816630) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
PubChem CID140816630
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
SMILESCC(C)Cc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C19H32/c1-12(2)11-16-9-10-17(13(3)4)19(15(7)8)18(16)14(5)6/h9-10,12-15H,11H2,1-8H3
InChIKeyHLFZVCLRZLFVGR-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
2-tert-butyl-5-(2-methylpropyl)-4-propan-2-ylaniline
CID 138729506
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
CID 19977431
1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene
CID 174371196
2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid
CID 175156186
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
CID 139802113
3-methyl-4-(2-methylpropyl)aniline
CID 63889098
1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
CID 157084325

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene?
The IUPAC name of 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene (CID 140816630) is 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene?
The canonical SMILES for 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene is CC(C)Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene?
The InChIKey is HLFZVCLRZLFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-12(2)11-16-9-10-17(13(3)4)19(15(7)8)18(16)14(5)6/h9-10,12-15H,11H2,1-8H3.
What are the key properties of 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene?
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene has a molecular weight of 260.46 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene is sourced from PubChem (CID 140816630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).