methoxymethane;2-methylprop-2-enal

C6H12O2 — CID 159944757

IUPACmethoxymethane;2-methylprop-2-enal
SMILESC=C(C)C=O.COC
InChIInChI=1S/C4H6O.C2H6O/c1-4(2)3-5;1-3-2/h3H,1H2,2H3;1-2H3
InChIKeyOBIPQURPMMLZRM-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.02
Rot. Bonds1

About methoxymethane;2-methylprop-2-enal

methoxymethane;2-methylprop-2-enal (PubChem CID 159944757) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is methoxymethane;2-methylprop-2-enal.

Molecular Properties

Compound Namemethoxymethane;2-methylprop-2-enal
PubChem CID159944757
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namemethoxymethane;2-methylprop-2-enal
SMILESC=C(C)C=O.COC
InChIInChI=1S/C4H6O.C2H6O/c1-4(2)3-5;1-3-2/h3H,1H2,2H3;1-2H3
InChIKeyOBIPQURPMMLZRM-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-methylprop-2-enal?
The IUPAC name of methoxymethane;2-methylprop-2-enal (CID 159944757) is methoxymethane;2-methylprop-2-enal.
What is the SMILES notation for methoxymethane;2-methylprop-2-enal?
The canonical SMILES for methoxymethane;2-methylprop-2-enal is C=C(C)C=O.COC.
What is the InChIKey of methoxymethane;2-methylprop-2-enal?
The InChIKey is OBIPQURPMMLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C2H6O/c1-4(2)3-5;1-3-2/h3H,1H2,2H3;1-2H3.
What are the key properties of methoxymethane;2-methylprop-2-enal?
methoxymethane;2-methylprop-2-enal has a molecular weight of 116.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-methylprop-2-enal is sourced from PubChem (CID 159944757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).