(2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol

C15H22O4 — CID 132607460

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

About (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol

(2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol (PubChem CID 132607460) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol.

Molecular Properties

Compound Name(2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol
PubChem CID132607460
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol
SMILESC=C[C@@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](C)O
InChIInChI=1S/C15H22O4/c1-3-13(17)15(19)11-9-7-5-4-6-8-10-14(18)12(2)16/h3-19H,1H2,2H3/b6-4+,7-5+,10-8+,11-9+/t12-,13-,14-,15-/m1/s1
InChIKeyBAQZAYPZPNPMCQ-LAPRGHAVSA-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 (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol?
The IUPAC name of (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol (CID 132607460) is (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol.
What is the SMILES notation for (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol?
The canonical SMILES for (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol is C=C[C@@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol?
The InChIKey is BAQZAYPZPNPMCQ-LAPRGHAVSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-13(17)15(19)11-9-7-5-4-6-8-10-14(18)12(2)16/h3-19H,1H2,2H3/b6-4+,7-5+,10-8+,11-9+/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol?
(2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-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 (2R,3R,4E,6E,8E,10E,12R,13R)-pentadeca-4,6,8,10,14-pentaene-2,3,12,13-tetrol is sourced from PubChem (CID 132607460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).