3-(ethenoxymethyl)-3-ethyloxolane

C9H16O2 — CID 176605176

IUPAC3-(ethenoxymethyl)-3-ethyloxolane
SMILESC=COCC1(CC)CCOC1
InChIInChI=1S/C9H16O2/c1-3-9(7-10-4-2)5-6-11-8-9/h4H,2-3,5-8H2,1H3
InChIKeyCSLGJXSNQHWKED-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

About 3-(ethenoxymethyl)-3-ethyloxolane

3-(ethenoxymethyl)-3-ethyloxolane (PubChem CID 176605176) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethyloxolane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-ethyloxolane
PubChem CID176605176
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(ethenoxymethyl)-3-ethyloxolane
SMILESC=COCC1(CC)CCOC1
InChIInChI=1S/C9H16O2/c1-3-9(7-10-4-2)5-6-11-8-9/h4H,2-3,5-8H2,1H3
InChIKeyCSLGJXSNQHWKED-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'}

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Related Compounds

4-(Ethenoxymethyl)-4-methyloxane
CID 68560612
3-Ethyl-3-(methoxymethyl)oxolane
CID 164166136
3-(Ethenoxymethyl)-3-methyloxolane
CID 176603173
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
4-(Ethenoxymethyl)-4-ethyloxane
CID 176604167
3-(2-Ethenoxyethyl)-3-methyloxolane
CID 176604617
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176605430
3-Ethyl-3-(propoxymethyl)oxolane
CID 177177735

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-ethyloxolane?
The IUPAC name of 3-(ethenoxymethyl)-3-ethyloxolane (CID 176605176) is 3-(ethenoxymethyl)-3-ethyloxolane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-ethyloxolane?
The canonical SMILES for 3-(ethenoxymethyl)-3-ethyloxolane is C=COCC1(CC)CCOC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-ethyloxolane?
The InChIKey is CSLGJXSNQHWKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(7-10-4-2)5-6-11-8-9/h4H,2-3,5-8H2,1H3.
What are the key properties of 3-(ethenoxymethyl)-3-ethyloxolane?
3-(ethenoxymethyl)-3-ethyloxolane 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-(ethenoxymethyl)-3-ethyloxolane is sourced from PubChem (CID 176605176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).