13,13-dibromotridecane-5,5-diol

C13H26Br2O2 — CID 141237047

IUPAC13,13-dibromotridecane-5,5-diol
SMILESCCCCC(O)(O)CCCCCCCC(Br)Br
InChIInChI=1S/C13H26Br2O2/c1-2-3-10-13(16,17)11-8-6-4-5-7-9-12(14)15/h12,16-17H,2-11H2,1H3
InChIKeyDRNFVDUPBQJRSF-UHFFFAOYSA-N
MW374.16 g/mol
LogP4.70
Rot. Bonds11

About 13,13-dibromotridecane-5,5-diol

13,13-dibromotridecane-5,5-diol (PubChem CID 141237047) has the molecular formula C13H26Br2O2 and a molecular weight of 374.16 g/mol. Its IUPAC name is 13,13-dibromotridecane-5,5-diol.

Molecular Properties

Compound Name13,13-dibromotridecane-5,5-diol
PubChem CID141237047
Molecular FormulaC13H26Br2O2
Molecular Weight374.16 g/mol
Exact Mass372.03
IUPAC Name13,13-dibromotridecane-5,5-diol
SMILESCCCCC(O)(O)CCCCCCCC(Br)Br
InChIInChI=1S/C13H26Br2O2/c1-2-3-10-13(16,17)11-8-6-4-5-7-9-12(14)15/h12,16-17H,2-11H2,1H3
InChIKeyDRNFVDUPBQJRSF-UHFFFAOYSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 90871150
nonane-3,3-diol
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9-butyl-10-methyloctadecan-9-ol
CID 173066845
chlorobenzene;undecane-5,5-diol
CID 159903559
CID 162309133
CID 162309133
2-butyltetradecane-1,2-diol
CID 88924076
5,6-dibromo-5-butyltetradecane
CID 151305284
3-bromo-2-methylheptadecan-2-ol
CID 141275323
octane-3,3-diol
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Frequently Asked Questions

What is the IUPAC name of 13,13-dibromotridecane-5,5-diol?
The IUPAC name of 13,13-dibromotridecane-5,5-diol (CID 141237047) is 13,13-dibromotridecane-5,5-diol.
What is the SMILES notation for 13,13-dibromotridecane-5,5-diol?
The canonical SMILES for 13,13-dibromotridecane-5,5-diol is CCCCC(O)(O)CCCCCCCC(Br)Br.
What is the InChIKey of 13,13-dibromotridecane-5,5-diol?
The InChIKey is DRNFVDUPBQJRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Br2O2/c1-2-3-10-13(16,17)11-8-6-4-5-7-9-12(14)15/h12,16-17H,2-11H2,1H3.
What are the key properties of 13,13-dibromotridecane-5,5-diol?
13,13-dibromotridecane-5,5-diol has a molecular weight of 374.16 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dibromotridecane-5,5-diol is sourced from PubChem (CID 141237047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).