acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol

C15H30O9 — CID 71403215

IUPACacetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
SMILESCC(=O)O.OC1COCCOCCOCCOCCOCCOC1
InChIInChI=1S/C13H26O7.C2H4O2/c14-13-11-19-9-7-17-5-3-15-1-2-16-4-6-18-8-10-20-12-13;1-2(3)4/h13-14H,1-12H2;1H3,(H,3,4)
InChIKeySSGWONPFDIROAX-UHFFFAOYSA-N
MW354.40 g/mol
LogP-0.45
Rot. Bonds

About acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol

acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol (PubChem CID 71403215) has the molecular formula C15H30O9 and a molecular weight of 354.40 g/mol. Its IUPAC name is acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol.

Molecular Properties

Compound Nameacetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
PubChem CID71403215
Molecular FormulaC15H30O9
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Nameacetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
SMILESCC(=O)O.OC1COCCOCCOCCOCCOCCOC1
InChIInChI=1S/C13H26O7.C2H4O2/c14-13-11-19-9-7-17-5-3-15-1-2-16-4-6-18-8-10-20-12-13;1-2(3)4/h13-14H,1-12H2;1H3,(H,3,4)
InChIKeySSGWONPFDIROAX-UHFFFAOYSA-N
XLogP-0.45
TPSA112.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol?
The IUPAC name of acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol (CID 71403215) is acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol.
What is the SMILES notation for acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol?
The canonical SMILES for acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol is CC(=O)O.OC1COCCOCCOCCOCCOCCOC1.
What is the InChIKey of acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol?
The InChIKey is SSGWONPFDIROAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O7.C2H4O2/c14-13-11-19-9-7-17-5-3-15-1-2-16-4-6-18-8-10-20-12-13;1-2(3)4/h13-14H,1-12H2;1H3,(H,3,4).
What are the key properties of acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol?
acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol has a molecular weight of 354.40 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol is sourced from PubChem (CID 71403215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).