2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane

C9H16O2 — CID 176603819

IUPAC2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1(C)CCCO1
InChIInChI=1S/C9H16O2/c1-3-6-10-8-9(2)5-4-7-11-9/h3,6H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyIVCWWRGFMGINAQ-ZZXKWVIFSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane

2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane (PubChem CID 176603819) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane.

Molecular Properties

Compound Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
PubChem CID176603819
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1(C)CCCO1
InChIInChI=1S/C9H16O2/c1-3-6-10-8-9(2)5-4-7-11-9/h3,6H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyIVCWWRGFMGINAQ-ZZXKWVIFSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(Prop-1-enoxymethyl)oxolane
CID 118967351
2-Methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
CID 150894005
2-(Ethenoxymethyl)-2-methyloxolane
CID 176603236
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603514
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176603627
2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176604023
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176604121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane?
The IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane (CID 176603819) is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane.
What is the SMILES notation for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane?
The canonical SMILES for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane is C/C=C/OCC1(C)CCCO1.
What is the InChIKey of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane?
The InChIKey is IVCWWRGFMGINAQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-6-10-8-9(2)5-4-7-11-9/h3,6H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane?
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxolane is sourced from PubChem (CID 176603819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).