(3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol

C15H22O4 — CID 139587843

IUPAC(3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol
SMILESC=C[C@@H](O)[C@H](O)/C=C/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C
InChIInChI=1S/C15H22O4/c1-3-9-13(17)15(19)11-8-6-5-7-10-14(18)12(16)4-2/h3-19H,2H2,1H3/b6-5+,9-3+,10-7+,11-8+/t12-,13-,14-,15-/m1/s1
InChIKeyYKJFYXONBBLCKJ-ZPEKGDIFSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds8

About (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol

(3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol (PubChem CID 139587843) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol.

Molecular Properties

Compound Name(3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol
PubChem CID139587843
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol
SMILESC=C[C@@H](O)[C@H](O)/C=C/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C
InChIInChI=1S/C15H22O4/c1-3-9-13(17)15(19)11-8-6-5-7-10-14(18)12(16)4-2/h3-19H,2H2,1H3/b6-5+,9-3+,10-7+,11-8+/t12-,13-,14-,15-/m1/s1
InChIKeyYKJFYXONBBLCKJ-ZPEKGDIFSA-N
XLogP0.86
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol?
The IUPAC name of (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol (CID 139587843) is (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol.
What is the SMILES notation for (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol?
The canonical SMILES for (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol is C=C[C@@H](O)[C@H](O)/C=C/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C.
What is the InChIKey of (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol?
The InChIKey is YKJFYXONBBLCKJ-ZPEKGDIFSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-9-13(17)15(19)11-8-6-5-7-10-14(18)12(16)4-2/h3-19H,2H2,1H3/b6-5+,9-3+,10-7+,11-8+/t12-,13-,14-,15-/m1/s1.
What are the key properties of (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol?
(3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol has a molecular weight of 266.34 g/mol, XLogP of 0.86, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5E,7E,9E,11R,12R,13E)-pentadeca-1,5,7,9,13-pentaene-3,4,11,12-tetrol is sourced from PubChem (CID 139587843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).