(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one

C17H20O2 — CID 46881232

IUPAC(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
SMILESCCCC(=O)CC/C=C/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,18H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-
InChIKeyORKCFSINEADMSV-VJWXCIGJSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds7

About (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one

(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one (PubChem CID 46881232) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one.

Molecular Properties

Compound Name(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
PubChem CID46881232
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
SMILESCCCC(=O)CC/C=C/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,18H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-
InChIKeyORKCFSINEADMSV-VJWXCIGJSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
CID 78384618
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
CID 97297315
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynal
CID 131247645
non-7-en-4-one
CID 57110919
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
hexadeca-6,8,14-trien-10,12-diynoic acid
CID 85034016
[(3S,4E,6E,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate
CID 11544212
trideca-2,10,12-trien-4,6,8-triyn-1-ol
CID 71357358
(8Z,10E)-11-bromoundeca-8,10-dien-5-one
CID 10634083

Frequently Asked Questions

What is the IUPAC name of (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
The IUPAC name of (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one (CID 46881232) is (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one.
What is the SMILES notation for (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
The canonical SMILES for (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one is CCCC(=O)CC/C=C/C=C/C#CC#C/C=C\CO.
What is the InChIKey of (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
The InChIKey is ORKCFSINEADMSV-VJWXCIGJSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,18H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-.
What are the key properties of (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one?
(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one is sourced from PubChem (CID 46881232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).