(2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol

C9H14O2 — CID 162972311

IUPAC(2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol
SMILESC=C/C=C/C=C/[C@H](O)[C@H](C)O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-7-9(11)8(2)10/h3-11H,1H2,2H3/b5-4+,7-6+/t8-,9-/m0/s1
InChIKeyUFYPYMBVDNCACU-YLGSCRSQSA-N
MW154.21 g/mol
LogP1.03
Rot. Bonds4

About (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol

(2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol (PubChem CID 162972311) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol.

Molecular Properties

Compound Name(2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol
PubChem CID162972311
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol
SMILESC=C/C=C/C=C/[C@H](O)[C@H](C)O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-7-9(11)8(2)10/h3-11H,1H2,2H3/b5-4+,7-6+/t8-,9-/m0/s1
InChIKeyUFYPYMBVDNCACU-YLGSCRSQSA-N
XLogP1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.03
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 (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol?
The IUPAC name of (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol (CID 162972311) is (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol.
What is the SMILES notation for (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol?
The canonical SMILES for (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol is C=C/C=C/C=C/[C@H](O)[C@H](C)O.
What is the InChIKey of (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol?
The InChIKey is UFYPYMBVDNCACU-YLGSCRSQSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-6-7-9(11)8(2)10/h3-11H,1H2,2H3/b5-4+,7-6+/t8-,9-/m0/s1.
What are the key properties of (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol?
(2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol has a molecular weight of 154.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4E,6E)-nona-4,6,8-triene-2,3-diol is sourced from PubChem (CID 162972311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).