1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one

C11H14Br2O2S — CID 103024578

IUPAC1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2O2S/c1-11(2,15-3)5-4-8(14)9-6-7(12)10(13)16-9/h6H,4-5H2,1-3H3
InChIKeyFACMCBIGBHKMJG-UHFFFAOYSA-N
MW370.11 g/mol
LogP4.66
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one

1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one (PubChem CID 103024578) has the molecular formula C11H14Br2O2S and a molecular weight of 370.11 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
PubChem CID103024578
Molecular FormulaC11H14Br2O2S
Molecular Weight370.11 g/mol
Exact Mass367.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2O2S/c1-11(2,15-3)5-4-8(14)9-6-7(12)10(13)16-9/h6H,4-5H2,1-3H3
InChIKeyFACMCBIGBHKMJG-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114970028
1-(4,5-dibromothiophen-2-yl)-4-methylpent-4-en-1-one
CID 115802878
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423
1-(4,5-dibromothiophen-2-yl)decan-1-one
CID 80532833
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 80532588
1-(4,5-dibromothiophen-2-yl)-4-ethylsulfonylbutan-1-one
CID 114974548
1-(4,5-dibromothiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780483
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
methyl (2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3,3-dimethylbutanoate
CID 110191726

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one (CID 103024578) is 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one is COC(C)(C)CCC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one?
The InChIKey is FACMCBIGBHKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2S/c1-11(2,15-3)5-4-8(14)9-6-7(12)10(13)16-9/h6H,4-5H2,1-3H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one?
1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one has a molecular weight of 370.11 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 103024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).