2-methoxy-2-methylpropane;prop-1-ene

C8H18O — CID 141199626

IUPAC2-methoxy-2-methylpropane;prop-1-ene
SMILESC=CC.COC(C)(C)C
InChIInChI=1S/C5H12O.C3H6/c1-5(2,3)6-4;1-3-2/h1-4H3;3H,1H2,2H3
InChIKeyJMWMAHLQBZVCOQ-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.62
Rot. Bonds

About 2-methoxy-2-methylpropane;prop-1-ene

2-methoxy-2-methylpropane;prop-1-ene (PubChem CID 141199626) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;prop-1-ene.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;prop-1-ene
PubChem CID141199626
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methoxy-2-methylpropane;prop-1-ene
SMILESC=CC.COC(C)(C)C
InChIInChI=1S/C5H12O.C3H6/c1-5(2,3)6-4;1-3-2/h1-4H3;3H,1H2,2H3
InChIKeyJMWMAHLQBZVCOQ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;prop-1-ene?
The IUPAC name of 2-methoxy-2-methylpropane;prop-1-ene (CID 141199626) is 2-methoxy-2-methylpropane;prop-1-ene.
What is the SMILES notation for 2-methoxy-2-methylpropane;prop-1-ene?
The canonical SMILES for 2-methoxy-2-methylpropane;prop-1-ene is C=CC.COC(C)(C)C.
What is the InChIKey of 2-methoxy-2-methylpropane;prop-1-ene?
The InChIKey is JMWMAHLQBZVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C3H6/c1-5(2,3)6-4;1-3-2/h1-4H3;3H,1H2,2H3.
What are the key properties of 2-methoxy-2-methylpropane;prop-1-ene?
2-methoxy-2-methylpropane;prop-1-ene has a molecular weight of 130.23 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;prop-1-ene is sourced from PubChem (CID 141199626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).