3-[(2-methylpropan-2-yl)oxy]hex-1-yne

C10H18O — CID 10997331

IUPAC3-[(2-methylpropan-2-yl)oxy]hex-1-yne
SMILESC#CC(CCC)OC(C)(C)C
InChIInChI=1S/C10H18O/c1-6-8-9(7-2)11-10(3,4)5/h2,9H,6,8H2,1,3-5H3
InChIKeyGFUMIIXNZURYNB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]hex-1-yne

3-[(2-methylpropan-2-yl)oxy]hex-1-yne (PubChem CID 10997331) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]hex-1-yne.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]hex-1-yne
PubChem CID10997331
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-[(2-methylpropan-2-yl)oxy]hex-1-yne
SMILESC#CC(CCC)OC(C)(C)C
InChIInChI=1S/C10H18O/c1-6-8-9(7-2)11-10(3,4)5/h2,9H,6,8H2,1,3-5H3
InChIKeyGFUMIIXNZURYNB-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
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-[(2-methylpropan-2-yl)oxy]hex-1-yne?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]hex-1-yne (CID 10997331) is 3-[(2-methylpropan-2-yl)oxy]hex-1-yne.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]hex-1-yne is C#CC(CCC)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
The InChIKey is GFUMIIXNZURYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-8-9(7-2)11-10(3,4)5/h2,9H,6,8H2,1,3-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
3-[(2-methylpropan-2-yl)oxy]hex-1-yne has a molecular weight of 154.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]hex-1-yne is sourced from PubChem (CID 10997331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).