acetaldehyde;bromobenzene;ethane

C10H15BrO — CID 90828372

IUPACacetaldehyde;bromobenzene;ethane
SMILESBrc1ccccc1.CC.CC=O
InChIInChI=1S/C6H5Br.C2H4O.C2H6/c7-6-4-2-1-3-5-6;1-2-3;1-2/h1-5H;2H,1H3;1-2H3
InChIKeyHSRAZLGXPFIKFZ-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.68
Rot. Bonds

About acetaldehyde;bromobenzene;ethane

acetaldehyde;bromobenzene;ethane (PubChem CID 90828372) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is acetaldehyde;bromobenzene;ethane.

Molecular Properties

Compound Nameacetaldehyde;bromobenzene;ethane
PubChem CID90828372
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Nameacetaldehyde;bromobenzene;ethane
SMILESBrc1ccccc1.CC.CC=O
InChIInChI=1S/C6H5Br.C2H4O.C2H6/c7-6-4-2-1-3-5-6;1-2-3;1-2/h1-5H;2H,1H3;1-2H3
InChIKeyHSRAZLGXPFIKFZ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromobenzene;prop-1-ene
CID 159947245
bromobenzene;N,N-dimethylformamide
CID 88804886
bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
bromobenzene;prop-2-enal
CID 157341458
CID 45052166
CID 45052166
bromobenzene;formaldehyde
CID 175054829
bromobenzene;trihydrofluoride
CID 173004651
bromobenzene;hydroiodide
CID 161399395
CID 159525408
CID 159525408
bromobenzene;hydrofluoride
CID 158803829
cesium;bromobenzene;hydride
CID 174679233

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;bromobenzene;ethane?
The IUPAC name of acetaldehyde;bromobenzene;ethane (CID 90828372) is acetaldehyde;bromobenzene;ethane.
What is the SMILES notation for acetaldehyde;bromobenzene;ethane?
The canonical SMILES for acetaldehyde;bromobenzene;ethane is Brc1ccccc1.CC.CC=O.
What is the InChIKey of acetaldehyde;bromobenzene;ethane?
The InChIKey is HSRAZLGXPFIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C2H4O.C2H6/c7-6-4-2-1-3-5-6;1-2-3;1-2/h1-5H;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;bromobenzene;ethane?
acetaldehyde;bromobenzene;ethane has a molecular weight of 231.13 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;bromobenzene;ethane is sourced from PubChem (CID 90828372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).