4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane

C12H22O2 — CID 176604114

IUPAC4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1(C)CCOCC1
InChIInChI=1S/C12H22O2/c1-11(2)10-14-9-6-12(3)4-7-13-8-5-12/h10H,4-9H2,1-3H3
InChIKeyYSRUFSDCXVGWPV-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds4

About 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane

4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane (PubChem CID 176604114) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane.

Molecular Properties

Compound Name4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
PubChem CID176604114
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1(C)CCOCC1
InChIInChI=1S/C12H22O2/c1-11(2)10-14-9-6-12(3)4-7-13-8-5-12/h10H,4-9H2,1-3H3
InChIKeyYSRUFSDCXVGWPV-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

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
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603628
4-(2-Ethenoxyethyl)-4-methyloxane
CID 176603712
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methyloxane
CID 176603816
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The IUPAC name of 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane (CID 176604114) is 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane.
What is the SMILES notation for 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The canonical SMILES for 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane is CC(C)=COCCC1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The InChIKey is YSRUFSDCXVGWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)10-14-9-6-12(3)4-7-13-8-5-12/h10H,4-9H2,1-3H3.
What are the key properties of 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane?
4-methyl-4-[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 4-methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane is sourced from PubChem (CID 176604114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).