methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene

C10H24O2 — CID 86742457

IUPACmethanol;2-methoxy-2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.CO.COC(C)(C)C
InChIInChI=1S/C5H12O.C4H8.CH4O/c1-5(2,3)6-4;1-4(2)3;1-2/h1-4H3;1H2,2-3H3;2H,1H3
InChIKeyCOEHTUUHUZWUTP-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.62
Rot. Bonds

About methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene

methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene (PubChem CID 86742457) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene.

Molecular Properties

Compound Namemethanol;2-methoxy-2-methylpropane;2-methylprop-1-ene
PubChem CID86742457
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Namemethanol;2-methoxy-2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.CO.COC(C)(C)C
InChIInChI=1S/C5H12O.C4H8.CH4O/c1-5(2,3)6-4;1-4(2)3;1-2/h1-4H3;1H2,2-3H3;2H,1H3
InChIKeyCOEHTUUHUZWUTP-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene?
The IUPAC name of methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene (CID 86742457) is methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene.
What is the SMILES notation for methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene?
The canonical SMILES for methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene is C=C(C)C.CO.COC(C)(C)C.
What is the InChIKey of methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene?
The InChIKey is COEHTUUHUZWUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H8.CH4O/c1-5(2,3)6-4;1-4(2)3;1-2/h1-4H3;1H2,2-3H3;2H,1H3.
What are the key properties of methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene?
methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene has a molecular weight of 176.30 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methoxy-2-methylpropane;2-methylprop-1-ene is sourced from PubChem (CID 86742457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).