(Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol

C14H20O2 — CID 170250023

IUPAC(Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol
SMILESCCC[C@H](O)C#C/C=C\C#C[C@@H](O)CCC
InChIInChI=1S/C14H20O2/c1-3-9-13(15)11-7-5-6-8-12-14(16)10-4-2/h5-6,13-16H,3-4,9-10H2,1-2H3/b6-5-/t13-,14-/m0/s1
InChIKeyGYZJPSOVJGUFPY-LAWSMPECSA-N
MW220.31 g/mol
LogP1.87
Rot. Bonds4

About (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol

(Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol (PubChem CID 170250023) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol.

Molecular Properties

Compound Name(Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol
PubChem CID170250023
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol
SMILESCCC[C@H](O)C#C/C=C\C#C[C@@H](O)CCC
InChIInChI=1S/C14H20O2/c1-3-9-13(15)11-7-5-6-8-12-14(16)10-4-2/h5-6,13-16H,3-4,9-10H2,1-2H3/b6-5-/t13-,14-/m0/s1
InChIKeyGYZJPSOVJGUFPY-LAWSMPECSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol?
The IUPAC name of (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol (CID 170250023) is (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol.
What is the SMILES notation for (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol?
The canonical SMILES for (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol is CCC[C@H](O)C#C/C=C\C#C[C@@H](O)CCC.
What is the InChIKey of (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol?
The InChIKey is GYZJPSOVJGUFPY-LAWSMPECSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-9-13(15)11-7-5-6-8-12-14(16)10-4-2/h5-6,13-16H,3-4,9-10H2,1-2H3/b6-5-/t13-,14-/m0/s1.
What are the key properties of (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol?
(Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol has a molecular weight of 220.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S,11S)-tetradec-7-en-5,9-diyne-4,11-diol is sourced from PubChem (CID 170250023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).