tetradec-6-en-8,10,12-triyne-1,5-diol

C14H16O2 — CID 162890629

IUPACtetradec-6-en-8,10,12-triyne-1,5-diol
SMILESCC#CC#CC#CC=CC(O)CCCCO
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14(16)12-9-10-13-15/h8,11,14-16H,9-10,12-13H2,1H3
InChIKeyYTTHDWIKWNORFR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.10
Rot. Bonds5

About tetradec-6-en-8,10,12-triyne-1,5-diol

tetradec-6-en-8,10,12-triyne-1,5-diol (PubChem CID 162890629) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is tetradec-6-en-8,10,12-triyne-1,5-diol.

Molecular Properties

Compound Nametetradec-6-en-8,10,12-triyne-1,5-diol
PubChem CID162890629
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nametetradec-6-en-8,10,12-triyne-1,5-diol
SMILESCC#CC#CC#CC=CC(O)CCCCO
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14(16)12-9-10-13-15/h8,11,14-16H,9-10,12-13H2,1H3
InChIKeyYTTHDWIKWNORFR-UHFFFAOYSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
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

heptadeca-1,9-dien-11,13,15-triyn-8-ol
CID 162964829
1-[(2-methylpropan-2-yl)oxy]tridec-3-en-5,7,9,11-tetrayn-2-ol
CID 162898866
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
12-ethylhexadeca-6,8,10-trien-14-yne-1,5-diol
CID 91060398
heptadeca-1,8,16-trien-4,6-diyne-3,10-diol
CID 2986
(3E,11Z)-1-chlorotrideca-3,11-dien-5,7,9-triyn-2-ol
CID 131751511
(16R)-9,16-dihydroxyoctadeca-10,17-dien-12,14-diynoic acid
CID 90024114
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
7-methyloctane-1,6-diol
CID 54253773
hept-6-ene-1,5-diol
CID 13479548
9-methyldecane-1,8-diol
CID 107094660

Frequently Asked Questions

What is the IUPAC name of tetradec-6-en-8,10,12-triyne-1,5-diol?
The IUPAC name of tetradec-6-en-8,10,12-triyne-1,5-diol (CID 162890629) is tetradec-6-en-8,10,12-triyne-1,5-diol.
What is the SMILES notation for tetradec-6-en-8,10,12-triyne-1,5-diol?
The canonical SMILES for tetradec-6-en-8,10,12-triyne-1,5-diol is CC#CC#CC#CC=CC(O)CCCCO.
What is the InChIKey of tetradec-6-en-8,10,12-triyne-1,5-diol?
The InChIKey is YTTHDWIKWNORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14(16)12-9-10-13-15/h8,11,14-16H,9-10,12-13H2,1H3.
What are the key properties of tetradec-6-en-8,10,12-triyne-1,5-diol?
tetradec-6-en-8,10,12-triyne-1,5-diol has a molecular weight of 216.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-6-en-8,10,12-triyne-1,5-diol is sourced from PubChem (CID 162890629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).