3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane

C12H22O2 — CID 176605137

IUPAC3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1(C)CCCOC1
InChIInChI=1S/C12H22O2/c1-11(2)9-13-8-6-12(3)5-4-7-14-10-12/h9H,4-8,10H2,1-3H3
InChIKeyIYOQRRNJRGVTGA-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds4

About 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane

3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane (PubChem CID 176605137) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane.

Molecular Properties

Compound Name3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
PubChem CID176605137
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1(C)CCCOC1
InChIInChI=1S/C12H22O2/c1-11(2)9-13-8-6-12(3)5-4-7-14-10-12/h9H,4-8,10H2,1-3H3
InChIKeyIYOQRRNJRGVTGA-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277602
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603191
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
3-(2-Ethenoxyethyl)-3-methyloxane
CID 176603778
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
4-(3-Ethenoxypropyl)-4-ethyloxane
CID 176604267
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604456

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The IUPAC name of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane (CID 176605137) is 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane.
What is the SMILES notation for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The canonical SMILES for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane is CC(C)=COCCC1(C)CCCOC1.
What is the InChIKey of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The InChIKey is IYOQRRNJRGVTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)9-13-8-6-12(3)5-4-7-14-10-12/h9H,4-8,10H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxane is sourced from PubChem (CID 176605137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).