ethane;methoxyethane;2-methylprop-1-ene

C9H22O — CID 159073107

IUPACethane;methoxyethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CCOC
InChIInChI=1S/C4H8.C3H8O.C2H6/c1-4(2)3;1-3-4-2;1-2/h1H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyJZXJPMZOSWKNBB-UHFFFAOYSA-N
MW146.27 g/mol
LogP3.26
Rot. Bonds1

About ethane;methoxyethane;2-methylprop-1-ene

ethane;methoxyethane;2-methylprop-1-ene (PubChem CID 159073107) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is ethane;methoxyethane;2-methylprop-1-ene.

Molecular Properties

Compound Nameethane;methoxyethane;2-methylprop-1-ene
PubChem CID159073107
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Nameethane;methoxyethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CCOC
InChIInChI=1S/C4H8.C3H8O.C2H6/c1-4(2)3;1-3-4-2;1-2/h1H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyJZXJPMZOSWKNBB-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-(2-methylprop-1-enoxy)prop-1-ene
CID 238798
2-Methyl-1-(2-methylpropoxy)prop-1-ene
CID 244341
2-Methyl-3-((2-methylprop-1-en-1-yl)oxy)but-2-ene
CID 21625927
1-(2-Methylprop-1-enoxy)butane
CID 12512191
isobutene MTBE
CID 19025147
Ethoxyethane;2-methylprop-1-ene
CID 19913928
1-(tert-Butoxy)-2-methylprop-1-ene
CID 21720145
2,2-Dimethyl-1-(2-methylprop-1-enoxy)propane
CID 22234825
Triethyl(2-methylprop-2-enoxy)germane
CID 22477073
Ethenoxyethene;2-methylprop-1-ene
CID 23355502
2-(2-Methylprop-1-enoxy)butane
CID 23545502
Methoxyethane;2-methylprop-1-ene
CID 53937621

Frequently Asked Questions

What is the IUPAC name of ethane;methoxyethane;2-methylprop-1-ene?
The IUPAC name of ethane;methoxyethane;2-methylprop-1-ene (CID 159073107) is ethane;methoxyethane;2-methylprop-1-ene.
What is the SMILES notation for ethane;methoxyethane;2-methylprop-1-ene?
The canonical SMILES for ethane;methoxyethane;2-methylprop-1-ene is C=C(C)C.CC.CCOC.
What is the InChIKey of ethane;methoxyethane;2-methylprop-1-ene?
The InChIKey is JZXJPMZOSWKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8O.C2H6/c1-4(2)3;1-3-4-2;1-2/h1H2,2-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;methoxyethane;2-methylprop-1-ene?
ethane;methoxyethane;2-methylprop-1-ene has a molecular weight of 146.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxyethane;2-methylprop-1-ene is sourced from PubChem (CID 159073107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).