methane;dihydrobromide

C12H50Br2 — CID 174834617

IUPACmethane;dihydrobromide
SMILESBr.Br.C.C.C.C.C.C.C.C.C.C.C.C
InChIInChI=1S/12CH4.2BrH/h12*1H4;2*1H
InChIKeyMDMLDMXKNKCSNR-UHFFFAOYSA-N
MW354.34 g/mol
LogP8.79
Rot. Bonds

About methane;dihydrobromide

methane;dihydrobromide (PubChem CID 174834617) has the molecular formula C12H50Br2 and a molecular weight of 354.34 g/mol. Its IUPAC name is methane;dihydrobromide.

Molecular Properties

Compound Namemethane;dihydrobromide
PubChem CID174834617
Molecular FormulaC12H50Br2
Molecular Weight354.34 g/mol
Exact Mass352.23
IUPAC Namemethane;dihydrobromide
SMILESBr.Br.C.C.C.C.C.C.C.C.C.C.C.C
InChIInChI=1S/12CH4.2BrH/h12*1H4;2*1H
InChIKeyMDMLDMXKNKCSNR-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;dihydrobromide?
The IUPAC name of methane;dihydrobromide (CID 174834617) is methane;dihydrobromide.
What is the SMILES notation for methane;dihydrobromide?
The canonical SMILES for methane;dihydrobromide is Br.Br.C.C.C.C.C.C.C.C.C.C.C.C.
What is the InChIKey of methane;dihydrobromide?
The InChIKey is MDMLDMXKNKCSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/12CH4.2BrH/h12*1H4;2*1H.
What are the key properties of methane;dihydrobromide?
methane;dihydrobromide has a molecular weight of 354.34 g/mol, XLogP of 8.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;dihydrobromide is sourced from PubChem (CID 174834617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).