(E)-2,6-dimethyloct-2-en-7-yne-1,6-diol

C10H16O2 — CID 6103523

IUPAC(E)-2,6-dimethyloct-2-en-7-yne-1,6-diol
SMILESC#CC(C)(O)CC/C=C(\C)CO
InChIInChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h1,6,11-12H,5,7-8H2,2-3H3/b9-6+
InChIKeyRXWGDTVJGRJDLD-RMKNXTFCSA-N
MW168.24 g/mol
LogP1.09
Rot. Bonds4

About (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol

(E)-2,6-dimethyloct-2-en-7-yne-1,6-diol (PubChem CID 6103523) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol.

Molecular Properties

Compound Name(E)-2,6-dimethyloct-2-en-7-yne-1,6-diol
PubChem CID6103523
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-2,6-dimethyloct-2-en-7-yne-1,6-diol
SMILESC#CC(C)(O)CC/C=C(\C)CO
InChIInChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h1,6,11-12H,5,7-8H2,2-3H3/b9-6+
InChIKeyRXWGDTVJGRJDLD-RMKNXTFCSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol?
The IUPAC name of (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol (CID 6103523) is (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol.
What is the SMILES notation for (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol?
The canonical SMILES for (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol is C#CC(C)(O)CC/C=C(\C)CO.
What is the InChIKey of (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol?
The InChIKey is RXWGDTVJGRJDLD-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h1,6,11-12H,5,7-8H2,2-3H3/b9-6+.
What are the key properties of (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol?
(E)-2,6-dimethyloct-2-en-7-yne-1,6-diol has a molecular weight of 168.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethyloct-2-en-7-yne-1,6-diol is sourced from PubChem (CID 6103523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).