(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol

C15H26O2 — CID 86583467

IUPAC(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+
InChIKeyFLIKBVTXNBEPQQ-RDUMTQBOSA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds8

About (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol

(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol (PubChem CID 86583467) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol.

Molecular Properties

Compound Name(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
PubChem CID86583467
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+
InChIKeyFLIKBVTXNBEPQQ-RDUMTQBOSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol?
The IUPAC name of (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol (CID 86583467) is (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol.
What is the SMILES notation for (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol?
The canonical SMILES for (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol is C/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO.
What is the InChIKey of (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol?
The InChIKey is FLIKBVTXNBEPQQ-RDUMTQBOSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+.
What are the key properties of (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol?
(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol has a molecular weight of 238.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol is sourced from PubChem (CID 86583467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).