2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol

C10H14O2 — CID 54067481

IUPAC2,7-dimethylocta-2,6-dien-4-yne-1,8-diol
SMILESCC(=CC#CC=C(C)CO)CO
InChIInChI=1S/C10H14O2/c1-9(7-11)5-3-4-6-10(2)8-12/h5-6,11-12H,7-8H2,1-2H3
InChIKeyMEAONJBNSODGKA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.50
Rot. Bonds2

About 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol

2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol (PubChem CID 54067481) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,7-dimethylocta-2,6-dien-4-yne-1,8-diol.

Molecular Properties

Compound Name2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol
PubChem CID54067481
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,7-dimethylocta-2,6-dien-4-yne-1,8-diol
SMILESCC(=CC#CC=C(C)CO)CO
InChIInChI=1S/C10H14O2/c1-9(7-11)5-3-4-6-10(2)8-12/h5-6,11-12H,7-8H2,1-2H3
InChIKeyMEAONJBNSODGKA-UHFFFAOYSA-N
XLogP1.50
TPSA40.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity224

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol?
The IUPAC name of 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol (CID 54067481) is 2,7-dimethylocta-2,6-dien-4-yne-1,8-diol.
What is the SMILES notation for 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol?
The canonical SMILES for 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol is CC(=CC#CC=C(C)CO)CO.
What is the InChIKey of 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol?
The InChIKey is MEAONJBNSODGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(7-11)5-3-4-6-10(2)8-12/h5-6,11-12H,7-8H2,1-2H3.
What are the key properties of 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol?
2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol has a molecular weight of 166.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol is sourced from PubChem (CID 54067481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).