3-methyl-3-(2-methylprop-1-enoxymethyl)oxane

C11H20O2 — CID 176605098

IUPAC3-methyl-3-(2-methylprop-1-enoxymethyl)oxane
SMILESCC(C)=COCC1(C)CCCOC1
InChIInChI=1S/C11H20O2/c1-10(2)7-13-9-11(3)5-4-6-12-8-11/h7H,4-6,8-9H2,1-3H3
InChIKeyBRFZPCZDVDUKQY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane

3-methyl-3-(2-methylprop-1-enoxymethyl)oxane (PubChem CID 176605098) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-1-enoxymethyl)oxane
PubChem CID176605098
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyl-3-(2-methylprop-1-enoxymethyl)oxane
SMILESCC(C)=COCC1(C)CCCOC1
InChIInChI=1S/C11H20O2/c1-10(2)7-13-9-11(3)5-4-6-12-8-11/h7H,4-6,8-9H2,1-3H3
InChIKeyBRFZPCZDVDUKQY-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'}

Analyze 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
3-(Cyclohexylidenemethoxymethyl)-3-methyloxane
CID 176603279
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638
3-(Ethenoxymethyl)-3-methyloxane
CID 176604669
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176604819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane?
The IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane (CID 176605098) is 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane.
What is the SMILES notation for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane?
The canonical SMILES for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane is CC(C)=COCC1(C)CCCOC1.
What is the InChIKey of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane?
The InChIKey is BRFZPCZDVDUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7-13-9-11(3)5-4-6-12-8-11/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane?
3-methyl-3-(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 3-methyl-3-(2-methylprop-1-enoxymethyl)oxane is sourced from PubChem (CID 176605098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).