but-2-yne;methane;methoxyethane

C9H22O — CID 158460184

IUPACbut-2-yne;methane;methoxyethane
SMILESC.C.CC#CC.CCOC
InChIInChI=1S/C4H6.C3H8O.2CH4/c2*1-3-4-2;;/h1-2H3;3H2,1-2H3;2*1H4
InChIKeyHFBOCVBVTHARJI-UHFFFAOYSA-N
MW146.27 g/mol
LogP2.95
Rot. Bonds1

About but-2-yne;methane;methoxyethane

but-2-yne;methane;methoxyethane (PubChem CID 158460184) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is but-2-yne;methane;methoxyethane.

Molecular Properties

Compound Namebut-2-yne;methane;methoxyethane
PubChem CID158460184
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Namebut-2-yne;methane;methoxyethane
SMILESC.C.CC#CC.CCOC
InChIInChI=1S/C4H6.C3H8O.2CH4/c2*1-3-4-2;;/h1-2H3;3H2,1-2H3;2*1H4
InChIKeyHFBOCVBVTHARJI-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 52.95
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 but-2-yne;methane;methoxyethane?
The IUPAC name of but-2-yne;methane;methoxyethane (CID 158460184) is but-2-yne;methane;methoxyethane.
What is the SMILES notation for but-2-yne;methane;methoxyethane?
The canonical SMILES for but-2-yne;methane;methoxyethane is C.C.CC#CC.CCOC.
What is the InChIKey of but-2-yne;methane;methoxyethane?
The InChIKey is HFBOCVBVTHARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C3H8O.2CH4/c2*1-3-4-2;;/h1-2H3;3H2,1-2H3;2*1H4.
What are the key properties of but-2-yne;methane;methoxyethane?
but-2-yne;methane;methoxyethane has a molecular weight of 146.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;methane;methoxyethane is sourced from PubChem (CID 158460184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).