tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride

C30H44Cl2 — CID 175503400

IUPACtris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl.Cl
InChIInChI=1S/3C10H14.2ClH/c3*1-8(2)10-6-4-9(3)5-7-10;;/h3*4-8H,1-3H3;2*1H
InChIKeyWODFZBCWVRYSBA-UHFFFAOYSA-N
MW475.59 g/mol
LogP10.20
Rot. Bonds3

About tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride

tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride (PubChem CID 175503400) has the molecular formula C30H44Cl2 and a molecular weight of 475.59 g/mol. Its IUPAC name is tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride.

Molecular Properties

Compound Nametris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
PubChem CID175503400
Molecular FormulaC30H44Cl2
Molecular Weight475.59 g/mol
Exact Mass474.28
IUPAC Nametris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl.Cl
InChIInChI=1S/3C10H14.2ClH/c3*1-8(2)10-6-4-9(3)5-7-10;;/h3*4-8H,1-3H3;2*1H
InChIKeyWODFZBCWVRYSBA-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
chloro-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 12995384
bromo-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 170693012

Frequently Asked Questions

What is the IUPAC name of tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride?
The IUPAC name of tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride (CID 175503400) is tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride.
What is the SMILES notation for tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride?
The canonical SMILES for tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride is Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl.Cl.
What is the InChIKey of tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride?
The InChIKey is WODFZBCWVRYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14.2ClH/c3*1-8(2)10-6-4-9(3)5-7-10;;/h3*4-8H,1-3H3;2*1H.
What are the key properties of tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride?
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride has a molecular weight of 475.59 g/mol, XLogP of 10.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride is sourced from PubChem (CID 175503400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).