(3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol

C14H24O2 — CID 10609204

IUPAC(3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol
SMILESCCCCCC(O)/C=C/C=C/C=C/C(C)O
InChIInChI=1S/C14H24O2/c1-3-4-7-11-14(16)12-9-6-5-8-10-13(2)15/h5-6,8-10,12-16H,3-4,7,11H2,1-2H3/b6-5+,10-8+,12-9+
InChIKeyCOKRUONGONTKGV-MVZORFNWSA-N
MW224.34 g/mol
LogP2.98
Rot. Bonds8

About (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol

(3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol (PubChem CID 10609204) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol.

Molecular Properties

Compound Name(3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol
PubChem CID10609204
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol
SMILESCCCCCC(O)/C=C/C=C/C=C/C(C)O
InChIInChI=1S/C14H24O2/c1-3-4-7-11-14(16)12-9-6-5-8-10-13(2)15/h5-6,8-10,12-16H,3-4,7,11H2,1-2H3/b6-5+,10-8+,12-9+
InChIKeyCOKRUONGONTKGV-MVZORFNWSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol?
The IUPAC name of (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol (CID 10609204) is (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol.
What is the SMILES notation for (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol?
The canonical SMILES for (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol is CCCCCC(O)/C=C/C=C/C=C/C(C)O.
What is the InChIKey of (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol?
The InChIKey is COKRUONGONTKGV-MVZORFNWSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-7-11-14(16)12-9-6-5-8-10-13(2)15/h5-6,8-10,12-16H,3-4,7,11H2,1-2H3/b6-5+,10-8+,12-9+.
What are the key properties of (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol?
(3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol has a molecular weight of 224.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-tetradeca-3,5,7-triene-2,9-diol is sourced from PubChem (CID 10609204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).