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

C9H18O2 — CID 545749

IUPAC2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
SMILESC=C(COC)COC(C)(C)C
InChIInChI=1S/C9H18O2/c1-8(6-10-5)7-11-9(2,3)4/h1,6-7H2,2-5H3
InChIKeyNXXLWJTVEPCLDD-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.00
Rot. Bonds4

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

2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene (PubChem CID 545749) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene.

Molecular Properties

Compound Name2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
PubChem CID545749
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
SMILESC=C(COC)COC(C)(C)C
InChIInChI=1S/C9H18O2/c1-8(6-10-5)7-11-9(2,3)4/h1,6-7H2,2-5H3
InChIKeyNXXLWJTVEPCLDD-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
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 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The IUPAC name of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene (CID 545749) is 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene.
What is the SMILES notation for 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The canonical SMILES for 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene is C=C(COC)COC(C)(C)C.
What is the InChIKey of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The InChIKey is NXXLWJTVEPCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(6-10-5)7-11-9(2,3)4/h1,6-7H2,2-5H3.
What are the key properties of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxy]prop-1-ene is sourced from PubChem (CID 545749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).