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

C9H26O — CID 157141754

IUPACmethane;3-methoxy-2-methylprop-1-ene
SMILESC.C.C.C.C=C(C)COC
InChIInChI=1S/C5H10O.4CH4/c1-5(2)4-6-3;;;;/h1,4H2,2-3H3;4*1H4
InChIKeyAKGNWNBXDXPYGN-UHFFFAOYSA-N
MW150.31 g/mol
LogP3.75
Rot. Bonds2

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

methane;3-methoxy-2-methylprop-1-ene (PubChem CID 157141754) has the molecular formula C9H26O and a molecular weight of 150.31 g/mol. Its IUPAC name is methane;3-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Namemethane;3-methoxy-2-methylprop-1-ene
PubChem CID157141754
Molecular FormulaC9H26O
Molecular Weight150.31 g/mol
Exact Mass150.20
IUPAC Namemethane;3-methoxy-2-methylprop-1-ene
SMILESC.C.C.C.C=C(C)COC
InChIInChI=1S/C5H10O.4CH4/c1-5(2)4-6-3;;;;/h1,4H2,2-3H3;4*1H4
InChIKeyAKGNWNBXDXPYGN-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 53.75
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 157141754) 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(C)COC.
What is the InChIKey of methane;3-methoxy-2-methylprop-1-ene?
The InChIKey is AKGNWNBXDXPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.4CH4/c1-5(2)4-6-3;;;;/h1,4H2,2-3H3;4*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 150.31 g/mol, XLogP of 3.75, 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 157141754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).