tetradec-13-en-1,3-diyne-6,7-diol

C14H20O2 — CID 53440552

IUPACtetradec-13-en-1,3-diyne-6,7-diol
SMILESC#CC#CCC(O)C(O)CCCCCC=C
InChIInChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2
InChIKeyWOVGAQBKTGZPTO-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.87
Rot. Bonds8

About tetradec-13-en-1,3-diyne-6,7-diol

tetradec-13-en-1,3-diyne-6,7-diol (PubChem CID 53440552) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is tetradec-13-en-1,3-diyne-6,7-diol.

Molecular Properties

Compound Nametetradec-13-en-1,3-diyne-6,7-diol
PubChem CID53440552
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametetradec-13-en-1,3-diyne-6,7-diol
SMILESC#CC#CCC(O)C(O)CCCCCC=C
InChIInChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2
InChIKeyWOVGAQBKTGZPTO-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Panaxytriol
CID 93484
Ginsenoyne C
CID 5317634
Petrosiol C
CID 71545564
avocatin B
CID 6710748
Heptadeca-1-ene-11,13-diyne-8,9,10-triol
CID 10423696
9-Decene-1,2-diol
CID 3020997
(6R,16Z,28Z)-hentriaconta-16,28-dien-2,4,30-triyne-1,6-diol
CID 11408374
(Z,6R)-hentriacont-28-en-2,4,16,30-tetrayne-1,6-diol
CID 11465110
7-Octene-1,2-diol
CID 565266
(3R,9R,10R)-Heptadec-1-en-4,6-diyne-3,9,10-triol
CID 10540577
(3S,9R,10R)-Panaxytriol
CID 10707741
Panaxjapyne C
CID 52952433

Frequently Asked Questions

What is the IUPAC name of tetradec-13-en-1,3-diyne-6,7-diol?
The IUPAC name of tetradec-13-en-1,3-diyne-6,7-diol (CID 53440552) is tetradec-13-en-1,3-diyne-6,7-diol.
What is the SMILES notation for tetradec-13-en-1,3-diyne-6,7-diol?
The canonical SMILES for tetradec-13-en-1,3-diyne-6,7-diol is C#CC#CCC(O)C(O)CCCCCC=C.
What is the InChIKey of tetradec-13-en-1,3-diyne-6,7-diol?
The InChIKey is WOVGAQBKTGZPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2.
What are the key properties of tetradec-13-en-1,3-diyne-6,7-diol?
tetradec-13-en-1,3-diyne-6,7-diol has a molecular weight of 220.31 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-13-en-1,3-diyne-6,7-diol is sourced from PubChem (CID 53440552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).