2-(5-bromothiophen-2-yl)-4-methylpentanal

C10H13BrOS — CID 83844459

IUPAC2-(5-bromothiophen-2-yl)-4-methylpentanal
SMILESCC(C)CC(C=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrOS/c1-7(2)5-8(6-12)9-3-4-10(11)13-9/h3-4,6-8H,5H2,1-2H3
InChIKeyBEELFASPBONGBK-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-4-methylpentanal

2-(5-bromothiophen-2-yl)-4-methylpentanal (PubChem CID 83844459) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-methylpentanal.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-methylpentanal
PubChem CID83844459
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name2-(5-bromothiophen-2-yl)-4-methylpentanal
SMILESCC(C)CC(C=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrOS/c1-7(2)5-8(6-12)9-3-4-10(11)13-9/h3-4,6-8H,5H2,1-2H3
InChIKeyBEELFASPBONGBK-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(1-bromo-3-methylbutyl)thiophene
CID 63444379
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
2-(3-bromophenyl)-4-methylpentanal
CID 83844088
methyl 2-(5-bromothiophen-2-yl)-3-oxopropanoate
CID 86640017
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702744
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene
CID 104521556

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-methylpentanal?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-methylpentanal (CID 83844459) is 2-(5-bromothiophen-2-yl)-4-methylpentanal.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-methylpentanal?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-methylpentanal is CC(C)CC(C=O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-methylpentanal?
The InChIKey is BEELFASPBONGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-7(2)5-8(6-12)9-3-4-10(11)13-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-4-methylpentanal?
2-(5-bromothiophen-2-yl)-4-methylpentanal has a molecular weight of 261.18 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-methylpentanal is sourced from PubChem (CID 83844459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).