3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene

C9H18O2 — CID 545225

IUPAC3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
SMILESC=C(C)C(OC)OC(C)(C)C
InChIInChI=1S/C9H18O2/c1-7(2)8(10-6)11-9(3,4)5/h8H,1H2,2-6H3
InChIKeyXGJRWRHECVGGQS-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds3

About 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene

3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene (PubChem CID 545225) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene.

Molecular Properties

Compound Name3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
PubChem CID545225
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
SMILESC=C(C)C(OC)OC(C)(C)C
InChIInChI=1S/C9H18O2/c1-7(2)8(10-6)11-9(3,4)5/h8H,1H2,2-6H3
InChIKeyXGJRWRHECVGGQS-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The IUPAC name of 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene (CID 545225) is 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene.
What is the SMILES notation for 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The canonical SMILES for 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene is C=C(C)C(OC)OC(C)(C)C.
What is the InChIKey of 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The InChIKey is XGJRWRHECVGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)8(10-6)11-9(3,4)5/h8H,1H2,2-6H3.
What are the key properties of 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene is sourced from PubChem (CID 545225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).