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

C21H44O3 — CID 87523216

IUPACoctadec-1-ene;propane-1,2,3-triol
SMILESC=CCCCCCCCCCCCCCCCC.OCC(O)CO
InChIInChI=1S/C18H36.C3H8O3/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;4-1-3(6)2-5/h3H,1,4-18H2,2H3;3-6H,1-2H2
InChIKeyUWWJDDQRNFMSGC-UHFFFAOYSA-N
MW344.58 g/mol
LogP5.38
Rot. Bonds17

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

octadec-1-ene;propane-1,2,3-triol (PubChem CID 87523216) has the molecular formula C21H44O3 and a molecular weight of 344.58 g/mol. Its IUPAC name is octadec-1-ene;propane-1,2,3-triol.

Molecular Properties

Compound Nameoctadec-1-ene;propane-1,2,3-triol
PubChem CID87523216
Molecular FormulaC21H44O3
Molecular Weight344.58 g/mol
Exact Mass344.33
IUPAC Nameoctadec-1-ene;propane-1,2,3-triol
SMILESC=CCCCCCCCCCCCCCCCC.OCC(O)CO
InChIInChI=1S/C18H36.C3H8O3/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;4-1-3(6)2-5/h3H,1,4-18H2,2H3;3-6H,1-2H2
InChIKeyUWWJDDQRNFMSGC-UHFFFAOYSA-N
XLogP5.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 55.38
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

nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
dec-1-ene;ethane-1,2-diol
CID 87306411
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560

Frequently Asked Questions

What is the IUPAC name of octadec-1-ene;propane-1,2,3-triol?
The IUPAC name of octadec-1-ene;propane-1,2,3-triol (CID 87523216) is octadec-1-ene;propane-1,2,3-triol.
What is the SMILES notation for octadec-1-ene;propane-1,2,3-triol?
The canonical SMILES for octadec-1-ene;propane-1,2,3-triol is C=CCCCCCCCCCCCCCCCC.OCC(O)CO.
What is the InChIKey of octadec-1-ene;propane-1,2,3-triol?
The InChIKey is UWWJDDQRNFMSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36.C3H8O3/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;4-1-3(6)2-5/h3H,1,4-18H2,2H3;3-6H,1-2H2.
What are the key properties of octadec-1-ene;propane-1,2,3-triol?
octadec-1-ene;propane-1,2,3-triol has a molecular weight of 344.58 g/mol, XLogP of 5.38, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-1-ene;propane-1,2,3-triol is sourced from PubChem (CID 87523216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).