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

C12H22O2 — CID 176604335

IUPAC2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1(C)CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)10-13-9-7-12(3)6-4-5-8-14-12/h10H,4-9H2,1-3H3
InChIKeyWZPNWNWXYRMWDP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds4

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

2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane (PubChem CID 176604335) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
PubChem CID176604335
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1(C)CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)10-13-9-7-12(3)6-4-5-8-14-12/h10H,4-9H2,1-3H3
InChIKeyWZPNWNWXYRMWDP-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxane
CID 176603490
3-[1-(2-Methylprop-1-enoxy)ethyl]oxepane
CID 176603555
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-(2-Ethenoxyethyl)-2-methyloxane
CID 176603794
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
CID 176604209
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604612
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604888
2-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176605169
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176605385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane (CID 176604335) is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane.
What is the SMILES notation for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The canonical SMILES for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane is CC(C)=COCCC1(C)CCCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The InChIKey is WZPNWNWXYRMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)10-13-9-7-12(3)6-4-5-8-14-12/h10H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane?
2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane is sourced from PubChem (CID 176604335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).