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

C30H44Cl2 — CID 175503400

IUPACtris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
SMILESCC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.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
MW475.60 g/mol
LogP—
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 475.60 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 Weight475.60 g/mol
Exact Mass474.28
IUPAC Nametris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
SMILESCC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.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
XLogP—
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity86

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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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 CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.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 475.60 g/mol, XLogP of not available, 3 rotatable bonds, 2 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).