methane;3-methoxy-2-methylprop-1-ene

C8H22O — CID 158796314

IUPACmethane;3-methoxy-2-methylprop-1-ene
SMILESC.C.C.C=C(C)COC
InChIInChI=1S/C5H10O.3CH4/c1-5(2)4-6-3;;;/h1,4H2,2-3H3;3*1H4
InChIKeyISXFCYQOKVPXBA-UHFFFAOYSA-N
MW134.26 g/mol
LogP3.12
Rot. Bonds2

About methane;3-methoxy-2-methylprop-1-ene

methane;3-methoxy-2-methylprop-1-ene (PubChem CID 158796314) has the molecular formula C8H22O and a molecular weight of 134.26 g/mol. Its IUPAC name is methane;3-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Namemethane;3-methoxy-2-methylprop-1-ene
PubChem CID158796314
Molecular FormulaC8H22O
Molecular Weight134.26 g/mol
Exact Mass134.17
IUPAC Namemethane;3-methoxy-2-methylprop-1-ene
SMILESC.C.C.C=C(C)COC
InChIInChI=1S/C5H10O.3CH4/c1-5(2)4-6-3;;;/h1,4H2,2-3H3;3*1H4
InChIKeyISXFCYQOKVPXBA-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.26
LogP ≤ 53.12
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 methane;3-methoxy-2-methylprop-1-ene?
The IUPAC name of methane;3-methoxy-2-methylprop-1-ene (CID 158796314) is methane;3-methoxy-2-methylprop-1-ene.
What is the SMILES notation for methane;3-methoxy-2-methylprop-1-ene?
The canonical SMILES for methane;3-methoxy-2-methylprop-1-ene is C.C.C.C=C(C)COC.
What is the InChIKey of methane;3-methoxy-2-methylprop-1-ene?
The InChIKey is ISXFCYQOKVPXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.3CH4/c1-5(2)4-6-3;;;/h1,4H2,2-3H3;3*1H4.
What are the key properties of methane;3-methoxy-2-methylprop-1-ene?
methane;3-methoxy-2-methylprop-1-ene has a molecular weight of 134.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-2-methylprop-1-ene is sourced from PubChem (CID 158796314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).