tridecane-1,4,5,13-tetrol

C13H28O4 — CID 57164237

IUPACtridecane-1,4,5,13-tetrol
SMILESOCCCCCCCCC(O)C(O)CCCO
InChIInChI=1S/C13H28O4/c14-10-6-4-2-1-3-5-8-12(16)13(17)9-7-11-15/h12-17H,1-11H2
InChIKeyXDTHWKKKMBOLLG-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.20
Rot. Bonds12

About tridecane-1,4,5,13-tetrol

tridecane-1,4,5,13-tetrol (PubChem CID 57164237) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is tridecane-1,4,5,13-tetrol.

Molecular Properties

Compound Nametridecane-1,4,5,13-tetrol
PubChem CID57164237
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Nametridecane-1,4,5,13-tetrol
SMILESOCCCCCCCCC(O)C(O)CCCO
InChIInChI=1S/C13H28O4/c14-10-6-4-2-1-3-5-8-12(16)13(17)9-7-11-15/h12-17H,1-11H2
InChIKeyXDTHWKKKMBOLLG-UHFFFAOYSA-N
XLogP1.20
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nonane-1,2,3,9-tetrol
CID 87488161
dodecane-1,6,7,11-tetrol
CID 88790738
tridecane-1,4,13-triol
CID 90439734
hexane-1,2,3,6-tetrol
CID 5209802
1-aminoheptane-1,2,7-triol
CID 87845993
nonane-1,5,6-triol
CID 174941867
9-methyldecane-1,8-diol
CID 107094660
7-methyloctane-1,6-diol
CID 54253773
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
hexadecane-1,8,16-triol
CID 11403100

Frequently Asked Questions

What is the IUPAC name of tridecane-1,4,5,13-tetrol?
The IUPAC name of tridecane-1,4,5,13-tetrol (CID 57164237) is tridecane-1,4,5,13-tetrol.
What is the SMILES notation for tridecane-1,4,5,13-tetrol?
The canonical SMILES for tridecane-1,4,5,13-tetrol is OCCCCCCCCC(O)C(O)CCCO.
What is the InChIKey of tridecane-1,4,5,13-tetrol?
The InChIKey is XDTHWKKKMBOLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c14-10-6-4-2-1-3-5-8-12(16)13(17)9-7-11-15/h12-17H,1-11H2.
What are the key properties of tridecane-1,4,5,13-tetrol?
tridecane-1,4,5,13-tetrol has a molecular weight of 248.36 g/mol, XLogP of 1.20, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tridecane-1,4,5,13-tetrol is sourced from PubChem (CID 57164237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).