18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one

C18H22O2 — CID 78384618

IUPAC18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
SMILESCCCC(=O)CCC=CC=CC#CC#CCC=CCO
InChIInChI=1S/C18H22O2/c1-2-15-18(20)16-13-11-9-7-5-3-4-6-8-10-12-14-17-19/h5,7,9,11-12,14,19H,2,10,13,15-17H2,1H3
InChIKeyZFOBEJMRESDBPQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.19
Rot. Bonds8

About 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one

18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one (PubChem CID 78384618) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one.

Molecular Properties

Compound Name18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
PubChem CID78384618
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
SMILESCCCC(=O)CCC=CC=CC#CC#CCC=CCO
InChIInChI=1S/C18H22O2/c1-2-15-18(20)16-13-11-9-7-5-3-4-6-8-10-12-14-17-19/h5,7,9,11-12,14,19H,2,10,13,15-17H2,1H3
InChIKeyZFOBEJMRESDBPQ-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Falcarinolone
CID 6442185
Bupleuronol
CID 46881232
17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one
CID 44359771
(7E,9E,15E)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
CID 122184393
Bupleurynol
CID 5315554
(8E,10E,12E,14R)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynal
CID 10777483
(3R,8R,9Z,11Z)-heptadeca-1,9,11-trien-4,6-diyne-3,8-diol
CID 16743556
17-Hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
CID 75224290
17-Hydroxyheptadeca-7,9-dien-11,13-diyn-4-one
CID 54043213
(8S,9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
CID 162870726
(7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
CID 5315548
8-Hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
CID 176965

Frequently Asked Questions

What is the IUPAC name of 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one?
The IUPAC name of 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one (CID 78384618) is 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one.
What is the SMILES notation for 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one?
The canonical SMILES for 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one is CCCC(=O)CCC=CC=CC#CC#CCC=CCO.
What is the InChIKey of 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one?
The InChIKey is ZFOBEJMRESDBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-15-18(20)16-13-11-9-7-5-3-4-6-8-10-12-14-17-19/h5,7,9,11-12,14,19H,2,10,13,15-17H2,1H3.
What are the key properties of 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one?
18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one has a molecular weight of 270.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one is sourced from PubChem (CID 78384618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).