2-hex-5-enylnonadecane-1,2,3-triol

C25H50O3 — CID 87669583

IUPAC2-hex-5-enylnonadecane-1,2,3-triol
SMILESC=CCCCCC(O)(CO)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C25H50O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25(28,23-26)22-20-8-6-4-2/h4,24,26-28H,2-3,5-23H2,1H3
InChIKeyUHVMUTDUQCVFMU-UHFFFAOYSA-N
MW398.67 g/mol
LogP6.69
Rot. Bonds22

About 2-hex-5-enylnonadecane-1,2,3-triol

2-hex-5-enylnonadecane-1,2,3-triol (PubChem CID 87669583) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is 2-hex-5-enylnonadecane-1,2,3-triol.

Molecular Properties

Compound Name2-hex-5-enylnonadecane-1,2,3-triol
PubChem CID87669583
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name2-hex-5-enylnonadecane-1,2,3-triol
SMILESC=CCCCCC(O)(CO)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C25H50O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25(28,23-26)22-20-8-6-4-2/h4,24,26-28H,2-3,5-23H2,1H3
InChIKeyUHVMUTDUQCVFMU-UHFFFAOYSA-N
XLogP6.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 56.69
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

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CID 57173572
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5-pentylundec-1-ene-4,5,6-triol
CID 87840656
octadec-1-ene;propane-1,2,3-triol
CID 87523216
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
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26-heptadecylnonapentacont-1-ene
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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enylnonadecane-1,2,3-triol?
The IUPAC name of 2-hex-5-enylnonadecane-1,2,3-triol (CID 87669583) is 2-hex-5-enylnonadecane-1,2,3-triol.
What is the SMILES notation for 2-hex-5-enylnonadecane-1,2,3-triol?
The canonical SMILES for 2-hex-5-enylnonadecane-1,2,3-triol is C=CCCCCC(O)(CO)C(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-hex-5-enylnonadecane-1,2,3-triol?
The InChIKey is UHVMUTDUQCVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25(28,23-26)22-20-8-6-4-2/h4,24,26-28H,2-3,5-23H2,1H3.
What are the key properties of 2-hex-5-enylnonadecane-1,2,3-triol?
2-hex-5-enylnonadecane-1,2,3-triol has a molecular weight of 398.67 g/mol, XLogP of 6.69, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enylnonadecane-1,2,3-triol is sourced from PubChem (CID 87669583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).