(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol

C15H26O2 — CID 131752076

IUPAC(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol
SMILESC=CC(C)(O)CC/C=C(/C)C/C=C/C(C)(C)O
InChIInChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10-
InChIKeyWPGYCMWKXXCJMW-JSJZFMHOSA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds7

About (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol

(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol (PubChem CID 131752076) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol.

Molecular Properties

Compound Name(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol
PubChem CID131752076
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol
SMILESC=CC(C)(O)CC/C=C(/C)C/C=C/C(C)(C)O
InChIInChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10-
InChIKeyWPGYCMWKXXCJMW-JSJZFMHOSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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 (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol?
The IUPAC name of (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol (CID 131752076) is (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol.
What is the SMILES notation for (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol?
The canonical SMILES for (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol is C=CC(C)(O)CC/C=C(/C)C/C=C/C(C)(C)O.
What is the InChIKey of (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol?
The InChIKey is WPGYCMWKXXCJMW-JSJZFMHOSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10-.
What are the key properties of (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol?
(3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol has a molecular weight of 238.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-2,6,10-trimethyldodeca-3,6,11-triene-2,10-diol is sourced from PubChem (CID 131752076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).