(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol

C14H16O2 — CID 162890630

IUPAC(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol
SMILESCC#CC#CC#C/C=C/[C@H](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/b11-8+/t14-/m0/s1
InChIKeyYTTHDWIKWNORFR-ZHZWZMEUSA-N
MW216.28 g/mol
LogP1.10
Rot. Bonds5

About (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol

(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol (PubChem CID 162890630) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol.

Molecular Properties

Compound Name(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol
PubChem CID162890630
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol
SMILESCC#CC#CC#C/C=C/[C@H](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/b11-8+/t14-/m0/s1
InChIKeyYTTHDWIKWNORFR-ZHZWZMEUSA-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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Frequently Asked Questions

What is the IUPAC name of (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol?
The IUPAC name of (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol (CID 162890630) is (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol.
What is the SMILES notation for (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol?
The canonical SMILES for (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol is CC#CC#CC#C/C=C/[C@H](O)CCCCO.
What is the InChIKey of (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol?
The InChIKey is YTTHDWIKWNORFR-ZHZWZMEUSA-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/b11-8+/t14-/m0/s1.
What are the key properties of (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol?
(E,5R)-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 (E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol is sourced from PubChem (CID 162890630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).