3-(2-ethenoxyethyl)-3-methyloxolane

C9H16O2 — CID 176604617

IUPAC3-(2-ethenoxyethyl)-3-methyloxolane
SMILESC=COCCC1(C)CCOC1
InChIInChI=1S/C9H16O2/c1-3-10-6-4-9(2)5-7-11-8-9/h3H,1,4-8H2,2H3
InChIKeyWUSJQXQRZWCHNY-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

About 3-(2-ethenoxyethyl)-3-methyloxolane

3-(2-ethenoxyethyl)-3-methyloxolane (PubChem CID 176604617) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)-3-methyloxolane.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)-3-methyloxolane
PubChem CID176604617
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(2-ethenoxyethyl)-3-methyloxolane
SMILESC=COCCC1(C)CCOC1
InChIInChI=1S/C9H16O2/c1-3-10-6-4-9(2)5-7-11-8-9/h3H,1,4-8H2,2H3
InChIKeyWUSJQXQRZWCHNY-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
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

1,5-Bis(ethenoxy)-3,3-dimethylpentane
CID 145753870
3-(2-Methoxyethyl)-3-methyloxolane
CID 163582151
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
3-(2-Ethenoxyethyl)oxolane
CID 176603345
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
4-(2-Ethenoxyethyl)-4-methyloxane
CID 176603712
3-(3-Ethenoxypropyl)-3-ethyloxolane
CID 176604524
3-(Ethenoxymethyl)-3-ethyloxolane
CID 176605176

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)-3-methyloxolane?
The IUPAC name of 3-(2-ethenoxyethyl)-3-methyloxolane (CID 176604617) is 3-(2-ethenoxyethyl)-3-methyloxolane.
What is the SMILES notation for 3-(2-ethenoxyethyl)-3-methyloxolane?
The canonical SMILES for 3-(2-ethenoxyethyl)-3-methyloxolane is C=COCCC1(C)CCOC1.
What is the InChIKey of 3-(2-ethenoxyethyl)-3-methyloxolane?
The InChIKey is WUSJQXQRZWCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-6-4-9(2)5-7-11-8-9/h3H,1,4-8H2,2H3.
What are the key properties of 3-(2-ethenoxyethyl)-3-methyloxolane?
3-(2-ethenoxyethyl)-3-methyloxolane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)-3-methyloxolane is sourced from PubChem (CID 176604617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).