11-(2,5-dibromothiophen-3-yl)undecan-1-ol

C15H24Br2OS — CID 101496328

IUPAC11-(2,5-dibromothiophen-3-yl)undecan-1-ol
SMILESOCCCCCCCCCCCc1cc(Br)sc1Br
InChIInChI=1S/C15H24Br2OS/c16-14-12-13(15(17)19-14)10-8-6-4-2-1-3-5-7-9-11-18/h12,18H,1-11H2
InChIKeyDFNZMJMCOUQYBP-UHFFFAOYSA-N
MW412.23 g/mol
LogP6.32
Rot. Bonds11

About 11-(2,5-dibromothiophen-3-yl)undecan-1-ol

11-(2,5-dibromothiophen-3-yl)undecan-1-ol (PubChem CID 101496328) has the molecular formula C15H24Br2OS and a molecular weight of 412.23 g/mol. Its IUPAC name is 11-(2,5-dibromothiophen-3-yl)undecan-1-ol.

Molecular Properties

Compound Name11-(2,5-dibromothiophen-3-yl)undecan-1-ol
PubChem CID101496328
Molecular FormulaC15H24Br2OS
Molecular Weight412.23 g/mol
Exact Mass409.99
IUPAC Name11-(2,5-dibromothiophen-3-yl)undecan-1-ol
SMILESOCCCCCCCCCCCc1cc(Br)sc1Br
InChIInChI=1S/C15H24Br2OS/c16-14-12-13(15(17)19-14)10-8-6-4-2-1-3-5-7-9-11-18/h12,18H,1-11H2
InChIKeyDFNZMJMCOUQYBP-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.23
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dibromothiophen-3-yl)hexan-1-ol
CID 86013367
6-(2,5-dibromothiophen-3-yl)hexanoic acid
CID 43446944
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
2,5-dibromo-3-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]thiophene
CID 102230432
1-(2,5-dibromothiophen-3-yl)pentan-3-one
CID 122517209
2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 139824397
2,5-dibromo-3-dec-3-ynylthiophene
CID 67460155
2,5-dibromo-3-ethylthiophene
CID 14896125
2-(6-hydroxyhexyl)cycloprop-2-en-1-one
CID 10975707
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
5-bromo-3-hexyl-2-methylthiophene
CID 58352067
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dibromothiophen-3-yl)undecan-1-ol?
The IUPAC name of 11-(2,5-dibromothiophen-3-yl)undecan-1-ol (CID 101496328) is 11-(2,5-dibromothiophen-3-yl)undecan-1-ol.
What is the SMILES notation for 11-(2,5-dibromothiophen-3-yl)undecan-1-ol?
The canonical SMILES for 11-(2,5-dibromothiophen-3-yl)undecan-1-ol is OCCCCCCCCCCCc1cc(Br)sc1Br.
What is the InChIKey of 11-(2,5-dibromothiophen-3-yl)undecan-1-ol?
The InChIKey is DFNZMJMCOUQYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Br2OS/c16-14-12-13(15(17)19-14)10-8-6-4-2-1-3-5-7-9-11-18/h12,18H,1-11H2.
What are the key properties of 11-(2,5-dibromothiophen-3-yl)undecan-1-ol?
11-(2,5-dibromothiophen-3-yl)undecan-1-ol has a molecular weight of 412.23 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dibromothiophen-3-yl)undecan-1-ol is sourced from PubChem (CID 101496328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).