methanolate;bis(2-methylpropane)

C10H26O2-2 — CID 54353843

IUPACmethanolate;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.C[O-].C[O-]
InChIInChI=1S/2C4H10.2CH3O/c2*1-4(2)3;2*1-2/h2*4H,1-3H3;2*1H3/q;;2*-1
InChIKeyUHRXOYXTOGXYFP-UHFFFAOYSA-N
MW178.32 g/mol
LogP1.28
Rot. Bonds

About methanolate;bis(2-methylpropane)

methanolate;bis(2-methylpropane) (PubChem CID 54353843) has the molecular formula C10H26O2-2 and a molecular weight of 178.32 g/mol. Its IUPAC name is methanolate;bis(2-methylpropane).

Molecular Properties

Compound Namemethanolate;bis(2-methylpropane)
PubChem CID54353843
Molecular FormulaC10H26O2-2
Molecular Weight178.32 g/mol
Exact Mass178.19
IUPAC Namemethanolate;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.C[O-].C[O-]
InChIInChI=1S/2C4H10.2CH3O/c2*1-4(2)3;2*1-2/h2*4H,1-3H3;2*1H3/q;;2*-1
InChIKeyUHRXOYXTOGXYFP-UHFFFAOYSA-N
XLogP1.28
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanolate;bis(2-methylpropane)?
The IUPAC name of methanolate;bis(2-methylpropane) (CID 54353843) is methanolate;bis(2-methylpropane).
What is the SMILES notation for methanolate;bis(2-methylpropane)?
The canonical SMILES for methanolate;bis(2-methylpropane) is CC(C)C.CC(C)C.C[O-].C[O-].
What is the InChIKey of methanolate;bis(2-methylpropane)?
The InChIKey is UHRXOYXTOGXYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2CH3O/c2*1-4(2)3;2*1-2/h2*4H,1-3H3;2*1H3/q;;2*-1.
What are the key properties of methanolate;bis(2-methylpropane)?
methanolate;bis(2-methylpropane) has a molecular weight of 178.32 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(2-methylpropane) is sourced from PubChem (CID 54353843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).