(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one

C23H44O4 — CID 87949227

IUPAC(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one
SMILESCC(=O)CCCCCCCC/C=C\CCCCCCCCOCC(O)CO
InChIInChI=1S/C23H44O4/c1-22(25)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-27-21-23(26)20-24/h2-3,23-24,26H,4-21H2,1H3/b3-2-
InChIKeyRGOOQFJDOBFASX-IHWYPQMZSA-N
MW384.60 g/mol
LogP5.35
Rot. Bonds21

About (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one

(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one (PubChem CID 87949227) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one.

Molecular Properties

Compound Name(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one
PubChem CID87949227
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one
SMILESCC(=O)CCCCCCCC/C=C\CCCCCCCCOCC(O)CO
InChIInChI=1S/C23H44O4/c1-22(25)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-27-21-23(26)20-24/h2-3,23-24,26H,4-21H2,1H3/b3-2-
InChIKeyRGOOQFJDOBFASX-IHWYPQMZSA-N
XLogP5.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-(2,3-dihydroxypropoxy)pentan-2-one
CID 87130954
3-[(E)-octadec-11-enoxy]propane-1,2-diol
CID 50987897
(2S)-3-[(Z)-icos-9-enoxy]propane-1,2-diol
CID 101143228
3-[(E)-dec-6-enoxy]propane-1,2-diol
CID 101275411
3-[(E)-hexadec-7-enoxy]propane-1,2-diol
CID 10470922
3-[(E)-dec-5-enoxy]propane-1,2-diol
CID 101275410
3-[(10Z,13Z)-octadeca-10,13-dienoxy]propane-1,2-diol
CID 126713587
hexadec-8-ene-2,15-dione
CID 91429732
[(2S)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] acetate
CID 100993554
[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] (Z)-octadec-9-enoate
CID 99937659
7-(2-methylpropoxy)heptan-2-one
CID 170366767
(Z)-25,26,27-trihydroxyheptacos-11-en-2-one
CID 88782591

Frequently Asked Questions

What is the IUPAC name of (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one?
The IUPAC name of (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one (CID 87949227) is (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one.
What is the SMILES notation for (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one?
The canonical SMILES for (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one is CC(=O)CCCCCCCC/C=C\CCCCCCCCOCC(O)CO.
What is the InChIKey of (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one?
The InChIKey is RGOOQFJDOBFASX-IHWYPQMZSA-N. The full InChI is InChI=1S/C23H44O4/c1-22(25)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-27-21-23(26)20-24/h2-3,23-24,26H,4-21H2,1H3/b3-2-.
What are the key properties of (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one?
(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one has a molecular weight of 384.60 g/mol, XLogP of 5.35, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one is sourced from PubChem (CID 87949227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).