2,5-diethoxyhex-3-yne

C10H18O2 — CID 11070484

IUPAC2,5-diethoxyhex-3-yne
SMILESCCOC(C)C#CC(C)OCC
InChIInChI=1S/C10H18O2/c1-5-11-9(3)7-8-10(4)12-6-2/h9-10H,5-6H2,1-4H3
InChIKeyYVVIZUWEURJEPA-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds4

About 2,5-diethoxyhex-3-yne

2,5-diethoxyhex-3-yne (PubChem CID 11070484) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,5-diethoxyhex-3-yne.

Molecular Properties

Compound Name2,5-diethoxyhex-3-yne
PubChem CID11070484
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,5-diethoxyhex-3-yne
SMILESCCOC(C)C#CC(C)OCC
InChIInChI=1S/C10H18O2/c1-5-11-9(3)7-8-10(4)12-6-2/h9-10H,5-6H2,1-4H3
InChIKeyYVVIZUWEURJEPA-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1,4-Dipropoxybut-2-yne
CID 3017958
1-Propan-2-yloxyhex-1-yne
CID 12813435
3-But-3-yn-2-yloxybut-1-yne
CID 54560193
2-t-Butoxy-4-pentyne
CID 129802843
3-(2-Methoxypropoxy)-1-butyne
CID 287972
1,4-Diethoxypent-2-yne
CID 12735268
1,8-Dioxacyclotetradeca-4,11-diyne
CID 15811836
Bis(4-ethoxybut-1-ynyl)mercury
CID 85985039
(3S)-3-[(2-methylpropan-2-yl)oxy]pent-1-yne
CID 134890457
4-Methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hex-2-yne
CID 134897023
7-Methoxytrideca-5,8-diyne
CID 15892897
1,4-Dimethoxypent-2-yne
CID 85540382

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxyhex-3-yne?
The IUPAC name of 2,5-diethoxyhex-3-yne (CID 11070484) is 2,5-diethoxyhex-3-yne.
What is the SMILES notation for 2,5-diethoxyhex-3-yne?
The canonical SMILES for 2,5-diethoxyhex-3-yne is CCOC(C)C#CC(C)OCC.
What is the InChIKey of 2,5-diethoxyhex-3-yne?
The InChIKey is YVVIZUWEURJEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-11-9(3)7-8-10(4)12-6-2/h9-10H,5-6H2,1-4H3.
What are the key properties of 2,5-diethoxyhex-3-yne?
2,5-diethoxyhex-3-yne has a molecular weight of 170.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxyhex-3-yne is sourced from PubChem (CID 11070484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).