(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol

C14H18O3 — CID 162912274

IUPAC(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol
SMILESOC/C=C/C#CC#C/C=C/[C@H](O)CCCCO
InChIInChI=1S/C14H18O3/c15-12-8-5-3-1-2-4-6-10-14(17)11-7-9-13-16/h5-6,8,10,14-17H,7,9,11-13H2/b8-5+,10-6+/t14-/m0/s1
InChIKeyFQNISFHTWRJYNQ-VLAVIKOGSA-N
MW234.30 g/mol
LogP0.62
Rot. Bonds6

About (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol

(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol (PubChem CID 162912274) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol.

Molecular Properties

Compound Name(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol
PubChem CID162912274
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol
SMILESOC/C=C/C#CC#C/C=C/[C@H](O)CCCCO
InChIInChI=1S/C14H18O3/c15-12-8-5-3-1-2-4-6-10-14(17)11-7-9-13-16/h5-6,8,10,14-17H,7,9,11-13H2/b8-5+,10-6+/t14-/m0/s1
InChIKeyFQNISFHTWRJYNQ-VLAVIKOGSA-N
XLogP0.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol?
The IUPAC name of (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol (CID 162912274) is (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol.
What is the SMILES notation for (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol?
The canonical SMILES for (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol is OC/C=C/C#CC#C/C=C/[C@H](O)CCCCO.
What is the InChIKey of (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol?
The InChIKey is FQNISFHTWRJYNQ-VLAVIKOGSA-N. The full InChI is InChI=1S/C14H18O3/c15-12-8-5-3-1-2-4-6-10-14(17)11-7-9-13-16/h5-6,8,10,14-17H,7,9,11-13H2/b8-5+,10-6+/t14-/m0/s1.
What are the key properties of (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol?
(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol has a molecular weight of 234.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol is sourced from PubChem (CID 162912274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).