(2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol

C13H18O2 — CID 146684972

IUPAC(2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol
SMILESC=C/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C=C/C
InChIInChI=1S/C13H18O2/c1-3-5-7-9-11-13(15)12(14)10-8-6-4-2/h3-15H,1H2,2H3/b6-4+,7-5+,10-8+,11-9+/t12-,13-/m1/s1
InChIKeyZZRIFTCWAGMQHH-QCKRLIEVSA-N
MW206.28 g/mol
LogP2.14
Rot. Bonds6

About (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol

(2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol (PubChem CID 146684972) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol.

Molecular Properties

Compound Name(2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol
PubChem CID146684972
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol
SMILESC=C/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C=C/C
InChIInChI=1S/C13H18O2/c1-3-5-7-9-11-13(15)12(14)10-8-6-4-2/h3-15H,1H2,2H3/b6-4+,7-5+,10-8+,11-9+/t12-,13-/m1/s1
InChIKeyZZRIFTCWAGMQHH-QCKRLIEVSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol?
The IUPAC name of (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol (CID 146684972) is (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol.
What is the SMILES notation for (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol?
The canonical SMILES for (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol is C=C/C=C/C=C/[C@@H](O)[C@H](O)/C=C/C=C/C.
What is the InChIKey of (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol?
The InChIKey is ZZRIFTCWAGMQHH-QCKRLIEVSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-7-9-11-13(15)12(14)10-8-6-4-2/h3-15H,1H2,2H3/b6-4+,7-5+,10-8+,11-9+/t12-,13-/m1/s1.
What are the key properties of (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol?
(2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol has a molecular weight of 206.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R,7R,8E,10E)-trideca-2,4,8,10,12-pentaene-6,7-diol is sourced from PubChem (CID 146684972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).