propanoic acid;tridecane-1,13-diol

C16H34O4 — CID 175109427

IUPACpropanoic acid;tridecane-1,13-diol
SMILESCCC(=O)O.OCCCCCCCCCCCCCO
InChIInChI=1S/C13H28O2.C3H6O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15;1-2-3(4)5/h14-15H,1-13H2;2H2,1H3,(H,4,5)
InChIKeyGGXSCXRZEURQAC-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.74
Rot. Bonds13

About propanoic acid;tridecane-1,13-diol

propanoic acid;tridecane-1,13-diol (PubChem CID 175109427) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is propanoic acid;tridecane-1,13-diol.

Molecular Properties

Compound Namepropanoic acid;tridecane-1,13-diol
PubChem CID175109427
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Namepropanoic acid;tridecane-1,13-diol
SMILESCCC(=O)O.OCCCCCCCCCCCCCO
InChIInChI=1S/C13H28O2.C3H6O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15;1-2-3(4)5/h14-15H,1-13H2;2H2,1H3,(H,4,5)
InChIKeyGGXSCXRZEURQAC-UHFFFAOYSA-N
XLogP3.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,6-diol;propanoic acid
CID 87606628
octadecan-1-ol;propanoic acid
CID 158858583
propanoic acid;(Z)-tetradec-9-en-1-ol
CID 175420248
5-hydroxypentanoate;propanoic acid
CID 91421786
carbonic acid;decane-1,10-diol
CID 174976292
carbonic acid;pentane-1,5-diol
CID 175517734
butanedioic acid;octadecan-1-ol
CID 174509049
hexane-1,5-diol;propanoic acid
CID 175133260
decane;propanoic acid
CID 158826686
butane-1,4-diol;butanoic acid
CID 86642179
ethane;6-hydroxyhexanoic acid
CID 87459132
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364

Frequently Asked Questions

What is the IUPAC name of propanoic acid;tridecane-1,13-diol?
The IUPAC name of propanoic acid;tridecane-1,13-diol (CID 175109427) is propanoic acid;tridecane-1,13-diol.
What is the SMILES notation for propanoic acid;tridecane-1,13-diol?
The canonical SMILES for propanoic acid;tridecane-1,13-diol is CCC(=O)O.OCCCCCCCCCCCCCO.
What is the InChIKey of propanoic acid;tridecane-1,13-diol?
The InChIKey is GGXSCXRZEURQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.C3H6O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15;1-2-3(4)5/h14-15H,1-13H2;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;tridecane-1,13-diol?
propanoic acid;tridecane-1,13-diol has a molecular weight of 290.44 g/mol, XLogP of 3.74, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;tridecane-1,13-diol is sourced from PubChem (CID 175109427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).