3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne

C10H14O — CID 19695011

IUPAC3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne
SMILESC#CC(C)(C)OC(C)(C)C#C
InChIInChI=1S/C10H14O/c1-7-9(3,4)11-10(5,6)8-2/h1-2H,3-6H3
InChIKeyVFJZZRMSJOMUNM-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.83
Rot. Bonds2

About 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne

3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne (PubChem CID 19695011) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne.

Molecular Properties

Compound Name3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne
PubChem CID19695011
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne
SMILESC#CC(C)(C)OC(C)(C)C#C
InChIInChI=1S/C10H14O/c1-7-9(3,4)11-10(5,6)8-2/h1-2H,3-6H3
InChIKeyVFJZZRMSJOMUNM-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne?
The IUPAC name of 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne (CID 19695011) is 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne.
What is the SMILES notation for 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne?
The canonical SMILES for 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne is C#CC(C)(C)OC(C)(C)C#C.
What is the InChIKey of 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne?
The InChIKey is VFJZZRMSJOMUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-9(3,4)11-10(5,6)8-2/h1-2H,3-6H3.
What are the key properties of 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne?
3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne has a molecular weight of 150.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylbut-3-yn-2-yloxy)but-1-yne is sourced from PubChem (CID 19695011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).