tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol

C13H10O3 — CID 162872324

IUPACtridec-11-en-3,5,7,9-tetrayne-1,2,13-triol
SMILESOCC=CC#CC#CC#CC#CC(O)CO
InChIInChI=1S/C13H10O3/c14-11-9-7-5-3-1-2-4-6-8-10-13(16)12-15/h7,9,13-16H,11-12H2
InChIKeyULMPLBPXLHXGIC-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.10
Rot. Bonds2

About tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol

tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol (PubChem CID 162872324) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol.

Molecular Properties

Compound Nametridec-11-en-3,5,7,9-tetrayne-1,2,13-triol
PubChem CID162872324
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Nametridec-11-en-3,5,7,9-tetrayne-1,2,13-triol
SMILESOCC=CC#CC#CC#CC#CC(O)CO
InChIInChI=1S/C13H10O3/c14-11-9-7-5-3-1-2-4-6-8-10-13(16)12-15/h7,9,13-16H,11-12H2
InChIKeyULMPLBPXLHXGIC-UHFFFAOYSA-N
XLogP-1.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3R)-dec-8-en-4,6-diyne-1,3,10-triol
CID 131237107
(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol
CID 90656893
(2R,7Z,15E)-16-bromohexadeca-7,15-dien-3,5-diyne-1,2-diol
CID 51051055
(2S)-16-bromohexadec-15-en-3,5,11,13-tetrayne-1,2-diol
CID 71416988
trideca-2,10,12-trien-4,6,8-triyn-1-ol
CID 71357358
(2S,3S,4R,5R,6S)-2-[(E,3S)-3,10-dihydroxydec-8-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162956093
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynal
CID 131247645
(11E,15E)-16-bromohexadeca-11,15-dien-3,5,13-triyne-1,2-diol
CID 11141768
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
CID 97297315
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
tricos-20-en-3,5,10,12,22-pentayne-1,2-diol
CID 74051672

Frequently Asked Questions

What is the IUPAC name of tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol?
The IUPAC name of tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol (CID 162872324) is tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol.
What is the SMILES notation for tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol?
The canonical SMILES for tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol is OCC=CC#CC#CC#CC#CC(O)CO.
What is the InChIKey of tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol?
The InChIKey is ULMPLBPXLHXGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-11-9-7-5-3-1-2-4-6-8-10-13(16)12-15/h7,9,13-16H,11-12H2.
What are the key properties of tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol?
tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol has a molecular weight of 214.22 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-11-en-3,5,7,9-tetrayne-1,2,13-triol is sourced from PubChem (CID 162872324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).