4-methyl-4-(2-methylprop-1-enoxymethyl)oxane

C11H20O2 — CID 176605019

IUPAC4-methyl-4-(2-methylprop-1-enoxymethyl)oxane
SMILESCC(C)=COCC1(C)CCOCC1
InChIInChI=1S/C11H20O2/c1-10(2)8-13-9-11(3)4-6-12-7-5-11/h8H,4-7,9H2,1-3H3
InChIKeyRMRMAKATDUJBIT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane

4-methyl-4-(2-methylprop-1-enoxymethyl)oxane (PubChem CID 176605019) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane.

Molecular Properties

Compound Name4-methyl-4-(2-methylprop-1-enoxymethyl)oxane
PubChem CID176605019
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methyl-4-(2-methylprop-1-enoxymethyl)oxane
SMILESCC(C)=COCC1(C)CCOCC1
InChIInChI=1S/C11H20O2/c1-10(2)8-13-9-11(3)4-6-12-7-5-11/h8H,4-7,9H2,1-3H3
InChIKeyRMRMAKATDUJBIT-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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

4-(Ethenoxymethyl)-4-methyloxane
CID 68560612
4-(Methoxymethyl)-4-prop-1-en-2-yloxane
CID 144557126
3-Ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150120426
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane?
The IUPAC name of 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane (CID 176605019) is 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane.
What is the SMILES notation for 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane?
The canonical SMILES for 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane is CC(C)=COCC1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane?
The InChIKey is RMRMAKATDUJBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-13-9-11(3)4-6-12-7-5-11/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane?
4-methyl-4-(2-methylprop-1-enoxymethyl)oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylprop-1-enoxymethyl)oxane is sourced from PubChem (CID 176605019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).