(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol

C10H16O2 — CID 19107719

IUPAC(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
SMILESCC/C(C)=C/C=C/C(C)=C(O)O
InChIInChI=1S/C10H16O2/c1-4-8(2)6-5-7-9(3)10(11)12/h5-7,11-12H,4H2,1-3H3/b7-5+,8-6+
InChIKeyUXBJENSVKCCCSH-KQQUZDAGSA-N
MW168.24 g/mol
LogP3.25
Rot. Bonds3

About (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol

(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol (PubChem CID 19107719) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol.

Molecular Properties

Compound Name(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
PubChem CID19107719
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
SMILESCC/C(C)=C/C=C/C(C)=C(O)O
InChIInChI=1S/C10H16O2/c1-4-8(2)6-5-7-9(3)10(11)12/h5-7,11-12H,4H2,1-3H3/b7-5+,8-6+
InChIKeyUXBJENSVKCCCSH-KQQUZDAGSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol?
The IUPAC name of (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol (CID 19107719) is (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol.
What is the SMILES notation for (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol?
The canonical SMILES for (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol is CC/C(C)=C/C=C/C(C)=C(O)O.
What is the InChIKey of (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol?
The InChIKey is UXBJENSVKCCCSH-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8(2)6-5-7-9(3)10(11)12/h5-7,11-12H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol?
(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol has a molecular weight of 168.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol is sourced from PubChem (CID 19107719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).