icos-19-ene-1,1,10-triol

C20H40O3 — CID 19933797

IUPACicos-19-ene-1,1,10-triol
SMILESC=CCCCCCCCCC(O)CCCCCCCCC(O)O
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h2,19-23H,1,3-18H2
InChIKeyGHNAKYABDQEYCO-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.09
Rot. Bonds18

About icos-19-ene-1,1,10-triol

icos-19-ene-1,1,10-triol (PubChem CID 19933797) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is icos-19-ene-1,1,10-triol.

Molecular Properties

Compound Nameicos-19-ene-1,1,10-triol
PubChem CID19933797
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Nameicos-19-ene-1,1,10-triol
SMILESC=CCCCCCCCCC(O)CCCCCCCCC(O)O
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h2,19-23H,1,3-18H2
InChIKeyGHNAKYABDQEYCO-UHFFFAOYSA-N
XLogP5.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of icos-19-ene-1,1,10-triol?
The IUPAC name of icos-19-ene-1,1,10-triol (CID 19933797) is icos-19-ene-1,1,10-triol.
What is the SMILES notation for icos-19-ene-1,1,10-triol?
The canonical SMILES for icos-19-ene-1,1,10-triol is C=CCCCCCCCCC(O)CCCCCCCCC(O)O.
What is the InChIKey of icos-19-ene-1,1,10-triol?
The InChIKey is GHNAKYABDQEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h2,19-23H,1,3-18H2.
What are the key properties of icos-19-ene-1,1,10-triol?
icos-19-ene-1,1,10-triol has a molecular weight of 328.54 g/mol, XLogP of 5.09, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for icos-19-ene-1,1,10-triol is sourced from PubChem (CID 19933797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).