18-hydroxyoctadec-9-en-7-yl acetate

C20H38O3 — CID 154089470

IUPAC18-hydroxyoctadec-9-en-7-yl acetate
SMILESCCCCCCC(CC=CCCCCCCCCO)OC(C)=O
InChIInChI=1S/C20H38O3/c1-3-4-5-13-16-20(23-19(2)22)17-14-11-9-7-6-8-10-12-15-18-21/h11,14,20-21H,3-10,12-13,15-18H2,1-2H3
InChIKeyYKPQYKBIAFGWBT-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.56
Rot. Bonds16

About 18-hydroxyoctadec-9-en-7-yl acetate

18-hydroxyoctadec-9-en-7-yl acetate (PubChem CID 154089470) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 18-hydroxyoctadec-9-en-7-yl acetate.

Molecular Properties

Compound Name18-hydroxyoctadec-9-en-7-yl acetate
PubChem CID154089470
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name18-hydroxyoctadec-9-en-7-yl acetate
SMILESCCCCCCC(CC=CCCCCCCCCO)OC(C)=O
InChIInChI=1S/C20H38O3/c1-3-4-5-13-16-20(23-19(2)22)17-14-11-9-7-6-8-10-12-15-18-21/h11,14,20-21H,3-10,12-13,15-18H2,1-2H3
InChIKeyYKPQYKBIAFGWBT-UHFFFAOYSA-N
XLogP5.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
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)-18-hydroxyoctadec-9-en-7-yl] acetate
CID 102090399
icos-13-en-10-yl acetate
CID 175361590
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
16-hydroxyhexadecan-8-yl acetate
CID 175427631
[(Z)-3-acetyloxydodec-5-enyl] acetate
CID 134338925
[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
CID 175011944
butyl (E)-12-acetyloxyheptadec-9-enoate
CID 11625141
tetradec-10-en-5-yl acetate
CID 54019946
18-oxononadeca-9,11-dien-7-yl acetate
CID 76539171
18-oxononadec-11-en-7-yl acetate
CID 76539164
[(3S)-1-oxotetradecan-3-yl] acetate
CID 118532907
octadecanoyl (Z,12R)-12-octadecanoyloxyoctadec-9-enoate
CID 174335049

Frequently Asked Questions

What is the IUPAC name of 18-hydroxyoctadec-9-en-7-yl acetate?
The IUPAC name of 18-hydroxyoctadec-9-en-7-yl acetate (CID 154089470) is 18-hydroxyoctadec-9-en-7-yl acetate.
What is the SMILES notation for 18-hydroxyoctadec-9-en-7-yl acetate?
The canonical SMILES for 18-hydroxyoctadec-9-en-7-yl acetate is CCCCCCC(CC=CCCCCCCCCO)OC(C)=O.
What is the InChIKey of 18-hydroxyoctadec-9-en-7-yl acetate?
The InChIKey is YKPQYKBIAFGWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-4-5-13-16-20(23-19(2)22)17-14-11-9-7-6-8-10-12-15-18-21/h11,14,20-21H,3-10,12-13,15-18H2,1-2H3.
What are the key properties of 18-hydroxyoctadec-9-en-7-yl acetate?
18-hydroxyoctadec-9-en-7-yl acetate has a molecular weight of 326.52 g/mol, XLogP of 5.56, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxyoctadec-9-en-7-yl acetate is sourced from PubChem (CID 154089470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).