(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one

C15H22O2 — CID 162851888

IUPAC(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one
SMILESC/C=C\C#C/C=C/[C@H](O)CCCCCC(C)=O
InChIInChI=1S/C15H22O2/c1-3-4-5-6-9-12-15(17)13-10-7-8-11-14(2)16/h3-4,9,12,15,17H,7-8,10-11,13H2,1-2H3/b4-3-,12-9+/t15-/m0/s1
InChIKeyLIDVFDPYWJJTLV-OEFMQNLYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds7

About (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one

(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one (PubChem CID 162851888) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one.

Molecular Properties

Compound Name(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one
PubChem CID162851888
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one
SMILESC/C=C\C#C/C=C/[C@H](O)CCCCCC(C)=O
InChIInChI=1S/C15H22O2/c1-3-4-5-6-9-12-15(17)13-10-7-8-11-14(2)16/h3-4,9,12,15,17H,7-8,10-11,13H2,1-2H3/b4-3-,12-9+/t15-/m0/s1
InChIKeyLIDVFDPYWJJTLV-OEFMQNLYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Hydroxy-10,12,15-octadecatrienoic acid
CID 6439873
9-HOTrE
CID 10447175
11-Hydroxy-9-tridecenoic acid
CID 5318367
(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid
CID 13917187
9-hydroxy-10E,14Z-octadecadien-12-ynoic acid
CID 5312835
17-Hydroxylinolenic acid
CID 10708957
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid
CID 13917179
(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
CID 46937060
(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
CID 46937061
(Z)-1-hydroxyhexadec-10-en-7-one
CID 13964640
(E,17S)-17-hydroxyoctadec-15-en-9,11,13-triynoic acid
CID 10016854
12-Hydroxy-8,10-heptadecadienoic acid
CID 5312764

Frequently Asked Questions

What is the IUPAC name of (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one?
The IUPAC name of (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one (CID 162851888) is (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one.
What is the SMILES notation for (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one?
The canonical SMILES for (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one is C/C=C\C#C/C=C/[C@H](O)CCCCCC(C)=O.
What is the InChIKey of (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one?
The InChIKey is LIDVFDPYWJJTLV-OEFMQNLYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-4-5-6-9-12-15(17)13-10-7-8-11-14(2)16/h3-4,9,12,15,17H,7-8,10-11,13H2,1-2H3/b4-3-,12-9+/t15-/m0/s1.
What are the key properties of (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one?
(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one is sourced from PubChem (CID 162851888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).