bromomethane;ethane

C9H27Br3 — CID 159076803

IUPACbromomethane;ethane
SMILESCBr.CBr.CBr.CC.CC.CC
InChIInChI=1S/3C2H6.3CH3Br/c6*1-2/h3*1-2H3;3*1H3
InChIKeyKAIUCRLECCPVIL-UHFFFAOYSA-N
MW375.03 g/mol
LogP6.11
Rot. Bonds

About bromomethane;ethane

bromomethane;ethane (PubChem CID 159076803) has the molecular formula C9H27Br3 and a molecular weight of 375.03 g/mol. Its IUPAC name is bromomethane;ethane.

Molecular Properties

Compound Namebromomethane;ethane
PubChem CID159076803
Molecular FormulaC9H27Br3
Molecular Weight375.03 g/mol
Exact Mass371.97
IUPAC Namebromomethane;ethane
SMILESCBr.CBr.CBr.CC.CC.CC
InChIInChI=1S/3C2H6.3CH3Br/c6*1-2/h3*1-2H3;3*1H3
InChIKeyKAIUCRLECCPVIL-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.03
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethane;ethane?
The IUPAC name of bromomethane;ethane (CID 159076803) is bromomethane;ethane.
What is the SMILES notation for bromomethane;ethane?
The canonical SMILES for bromomethane;ethane is CBr.CBr.CBr.CC.CC.CC.
What is the InChIKey of bromomethane;ethane?
The InChIKey is KAIUCRLECCPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6.3CH3Br/c6*1-2/h3*1-2H3;3*1H3.
What are the key properties of bromomethane;ethane?
bromomethane;ethane has a molecular weight of 375.03 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;ethane is sourced from PubChem (CID 159076803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).