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

C11H20O2 — CID 176603506

IUPAC3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COCCC1(C)CCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-12-6-4-11(3)5-7-13-9-11/h8H,4-7,9H2,1-3H3
InChIKeyZKDXSYCKBTVCEI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

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

3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane (PubChem CID 176603506) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
PubChem CID176603506
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COCCC1(C)CCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-12-6-4-11(3)5-7-13-9-11/h8H,4-7,9H2,1-3H3
InChIKeyZKDXSYCKBTVCEI-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
3-Methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-(2-Ethenoxyethyl)-3-methyloxolane
CID 176604617
3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604648
4-Methyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176605019
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxolane
CID 176605068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The IUPAC name of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane (CID 176603506) is 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane.
What is the SMILES notation for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The canonical SMILES for 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane is CC(C)=COCCC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The InChIKey is ZKDXSYCKBTVCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-12-6-4-11(3)5-7-13-9-11/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
3-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 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]oxolane is sourced from PubChem (CID 176603506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).