2,5-dimethoxy-2,5-dimethylhex-3-yne

C10H18O2 — CID 15571018

IUPAC2,5-dimethoxy-2,5-dimethylhex-3-yne
SMILESCOC(C)(C)C#CC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-9(2,11-5)7-8-10(3,4)12-6/h1-6H3
InChIKeyAGQVIHDJOHEDGQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds2

About 2,5-dimethoxy-2,5-dimethylhex-3-yne

2,5-dimethoxy-2,5-dimethylhex-3-yne (PubChem CID 15571018) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,5-dimethoxy-2,5-dimethylhex-3-yne.

Molecular Properties

Compound Name2,5-dimethoxy-2,5-dimethylhex-3-yne
PubChem CID15571018
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,5-dimethoxy-2,5-dimethylhex-3-yne
SMILESCOC(C)(C)C#CC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-9(2,11-5)7-8-10(3,4)12-6/h1-6H3
InChIKeyAGQVIHDJOHEDGQ-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
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 2,5-dimethoxy-2,5-dimethylhex-3-yne?
The IUPAC name of 2,5-dimethoxy-2,5-dimethylhex-3-yne (CID 15571018) is 2,5-dimethoxy-2,5-dimethylhex-3-yne.
What is the SMILES notation for 2,5-dimethoxy-2,5-dimethylhex-3-yne?
The canonical SMILES for 2,5-dimethoxy-2,5-dimethylhex-3-yne is COC(C)(C)C#CC(C)(C)OC.
What is the InChIKey of 2,5-dimethoxy-2,5-dimethylhex-3-yne?
The InChIKey is AGQVIHDJOHEDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,11-5)7-8-10(3,4)12-6/h1-6H3.
What are the key properties of 2,5-dimethoxy-2,5-dimethylhex-3-yne?
2,5-dimethoxy-2,5-dimethylhex-3-yne has a molecular weight of 170.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-2,5-dimethylhex-3-yne is sourced from PubChem (CID 15571018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).