propane-1,2,3-triol;tridec-2-ene

C16H34O3 — CID 159701393

IUPACpropane-1,2,3-triol;tridec-2-ene
SMILESCC=CCCCCCCCCCC.OCC(O)CO
InChIInChI=1S/C13H26.C3H8O3/c1-3-5-7-9-11-13-12-10-8-6-4-2;4-1-3(6)2-5/h3,5H,4,6-13H2,1-2H3;3-6H,1-2H2
InChIKeyMXQXPFVFGCEMKT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.43
Rot. Bonds11

About propane-1,2,3-triol;tridec-2-ene

propane-1,2,3-triol;tridec-2-ene (PubChem CID 159701393) has the molecular formula C16H34O3 and a molecular weight of 274.45 g/mol. Its IUPAC name is propane-1,2,3-triol;tridec-2-ene.

Molecular Properties

Compound Namepropane-1,2,3-triol;tridec-2-ene
PubChem CID159701393
Molecular FormulaC16H34O3
Molecular Weight274.45 g/mol
Exact Mass274.25
IUPAC Namepropane-1,2,3-triol;tridec-2-ene
SMILESCC=CCCCCCCCCCC.OCC(O)CO
InChIInChI=1S/C13H26.C3H8O3/c1-3-5-7-9-11-13-12-10-8-6-4-2;4-1-3(6)2-5/h3,5H,4,6-13H2,1-2H3;3-6H,1-2H2
InChIKeyMXQXPFVFGCEMKT-UHFFFAOYSA-N
XLogP3.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-icos-2-ene
CID 5352524
octakis((Z)-octadec-9-enoic acid);hexakis(propane-1,2,3-triol)
CID 159051686
propane-1,2,3-triol;tris(tetradec-6-enoic acid)
CID 173409589
decakis((Z)-octadec-9-enoic acid);hexakis(propane-1,2,3-triol)
CID 158491758
tris((Z)-octadec-9-enoic acid);heptakis(propane-1,2,3-triol)
CID 160707384
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
octadec-9-ene-1,2-diol
CID 139720566
(Z)-oct-2-ene
CID 5356796
(E)-nonadec-5-ene-1,2-diol
CID 142781627
(Z)-1-[(Z)-octadec-9-enoxy]octadec-9-ene;bis(propane-1,2,3-triol)
CID 87482506
1-octadec-9-enoxyoctadec-9-ene;decakis(propane-1,2,3-triol)
CID 173155242

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;tridec-2-ene?
The IUPAC name of propane-1,2,3-triol;tridec-2-ene (CID 159701393) is propane-1,2,3-triol;tridec-2-ene.
What is the SMILES notation for propane-1,2,3-triol;tridec-2-ene?
The canonical SMILES for propane-1,2,3-triol;tridec-2-ene is CC=CCCCCCCCCCC.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;tridec-2-ene?
The InChIKey is MXQXPFVFGCEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C3H8O3/c1-3-5-7-9-11-13-12-10-8-6-4-2;4-1-3(6)2-5/h3,5H,4,6-13H2,1-2H3;3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;tridec-2-ene?
propane-1,2,3-triol;tridec-2-ene has a molecular weight of 274.45 g/mol, XLogP of 3.43, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;tridec-2-ene is sourced from PubChem (CID 159701393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).