(2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol

C15H26O3 — CID 87477157

IUPAC(2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
SMILESC/C(=C\CC/C(=C/CC/C(C)=C/CO)CO)CO
InChIInChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3/b13-9+,14-6+,15-7-
InChIKeyMOFGXPKHCUZJEB-TVVOFDSQSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds9

About (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol

(2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol (PubChem CID 87477157) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol.

Molecular Properties

Compound Name(2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
PubChem CID87477157
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
SMILESC/C(=C\CC/C(=C/CC/C(C)=C/CO)CO)CO
InChIInChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3/b13-9+,14-6+,15-7-
InChIKeyMOFGXPKHCUZJEB-TVVOFDSQSA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
The IUPAC name of (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol (CID 87477157) is (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol.
What is the SMILES notation for (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
The canonical SMILES for (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol is C/C(=C\CC/C(=C/CC/C(C)=C/CO)CO)CO.
What is the InChIKey of (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
The InChIKey is MOFGXPKHCUZJEB-TVVOFDSQSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3/b13-9+,14-6+,15-7-.
What are the key properties of (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol?
(2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z,10E)-6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol is sourced from PubChem (CID 87477157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).