2-bromopentanal;ethane

C7H15BrO — CID 145429561

IUPAC2-bromopentanal;ethane
SMILESCC.CCCC(Br)C=O
InChIInChI=1S/C5H9BrO.C2H6/c1-2-3-5(6)4-7;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyITUJVMKDHYCXNO-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.78
Rot. Bonds3

About 2-bromopentanal;ethane

2-bromopentanal;ethane (PubChem CID 145429561) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-bromopentanal;ethane.

Molecular Properties

Compound Name2-bromopentanal;ethane
PubChem CID145429561
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name2-bromopentanal;ethane
SMILESCC.CCCC(Br)C=O
InChIInChI=1S/C5H9BrO.C2H6/c1-2-3-5(6)4-7;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyITUJVMKDHYCXNO-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromobutanal
CID 19782773
2-bromo-4-ethoxybutanal
CID 91608133
2-methylpentanal;propanal
CID 23460116
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
2-bromo-3-chloropropanal
CID 12688066
(2S)-2-ethylpentanal
CID 71368973
potassium;hydride;2-methylpentanal
CID 173401246
2-ethenylpentanal
CID 12590028
ethane;2-methylbutane;4-methylheptane;3-methylpentane;propanal
CID 142120347
2-bromo-3-phenylpropanal;ethane
CID 90858202
2-propylpentanedial
CID 86120951
2-(2-chloroethyl)pentanal
CID 175205251

Frequently Asked Questions

What is the IUPAC name of 2-bromopentanal;ethane?
The IUPAC name of 2-bromopentanal;ethane (CID 145429561) is 2-bromopentanal;ethane.
What is the SMILES notation for 2-bromopentanal;ethane?
The canonical SMILES for 2-bromopentanal;ethane is CC.CCCC(Br)C=O.
What is the InChIKey of 2-bromopentanal;ethane?
The InChIKey is ITUJVMKDHYCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO.C2H6/c1-2-3-5(6)4-7;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of 2-bromopentanal;ethane?
2-bromopentanal;ethane has a molecular weight of 195.10 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopentanal;ethane is sourced from PubChem (CID 145429561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).