bis(2-methylpropane);dihydrochloride

C8H22Cl2 — CID 174914375

IUPACbis(2-methylpropane);dihydrochloride
SMILESCC(C)C.CC(C)C.Cl.Cl
InChIInChI=1S/2C4H10.2ClH/c2*1-4(2)3;;/h2*4H,1-3H3;2*1H
InChIKeyOIQYYKVVXITAOS-UHFFFAOYSA-N
MW189.17 g/mol
LogP4.17
Rot. Bonds

About bis(2-methylpropane);dihydrochloride

bis(2-methylpropane);dihydrochloride (PubChem CID 174914375) has the molecular formula C8H22Cl2 and a molecular weight of 189.17 g/mol. Its IUPAC name is bis(2-methylpropane);dihydrochloride.

Molecular Properties

Compound Namebis(2-methylpropane);dihydrochloride
PubChem CID174914375
Molecular FormulaC8H22Cl2
Molecular Weight189.17 g/mol
Exact Mass188.11
IUPAC Namebis(2-methylpropane);dihydrochloride
SMILESCC(C)C.CC(C)C.Cl.Cl
InChIInChI=1S/2C4H10.2ClH/c2*1-4(2)3;;/h2*4H,1-3H3;2*1H
InChIKeyOIQYYKVVXITAOS-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropane);dihydrochloride?
The IUPAC name of bis(2-methylpropane);dihydrochloride (CID 174914375) is bis(2-methylpropane);dihydrochloride.
What is the SMILES notation for bis(2-methylpropane);dihydrochloride?
The canonical SMILES for bis(2-methylpropane);dihydrochloride is CC(C)C.CC(C)C.Cl.Cl.
What is the InChIKey of bis(2-methylpropane);dihydrochloride?
The InChIKey is OIQYYKVVXITAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2ClH/c2*1-4(2)3;;/h2*4H,1-3H3;2*1H.
What are the key properties of bis(2-methylpropane);dihydrochloride?
bis(2-methylpropane);dihydrochloride has a molecular weight of 189.17 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);dihydrochloride is sourced from PubChem (CID 174914375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).