3-(1-ethenoxyethyl)oxane

C9H16O2 — CID 176602989

IUPAC3-(1-ethenoxyethyl)oxane
SMILESC=COC(C)C1CCCOC1
InChIInChI=1S/C9H16O2/c1-3-11-8(2)9-5-4-6-10-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyOTLYOWQZNBVWNX-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 3-(1-ethenoxyethyl)oxane

3-(1-ethenoxyethyl)oxane (PubChem CID 176602989) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)oxane.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)oxane
PubChem CID176602989
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(1-ethenoxyethyl)oxane
SMILESC=COC(C)C1CCCOC1
InChIInChI=1S/C9H16O2/c1-3-11-8(2)9-5-4-6-10-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyOTLYOWQZNBVWNX-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

3-(1-Propoxyethyl)oxane
CID 56990213
5-(Methoxymethyl)-2-methyloxane
CID 57128929
3-(1-Methoxyethyl)oxane
CID 57141283
(2S,3S)-3-ethyl-5-(methoxymethyl)-2-methyloxane
CID 89946035
(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane
CID 130395083
5-[[4-(Ethenoxymethyl)cyclohexyl]methoxymethyl]-2-methyloxane
CID 132146974
(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane
CID 134557149
2-(2-Ethenoxyethyl)-3-ethyloxetane
CID 141483493
2,4-Dimethyloxane;ethane;ethene
CID 142118331
(2S,4S)-2,4-dimethyloxane;ethene
CID 143101140
(4S)-2,4-dimethyloxane;ethene
CID 143417606
2,4-Dimethyloxane;ethene
CID 144253175

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)oxane?
The IUPAC name of 3-(1-ethenoxyethyl)oxane (CID 176602989) is 3-(1-ethenoxyethyl)oxane.
What is the SMILES notation for 3-(1-ethenoxyethyl)oxane?
The canonical SMILES for 3-(1-ethenoxyethyl)oxane is C=COC(C)C1CCCOC1.
What is the InChIKey of 3-(1-ethenoxyethyl)oxane?
The InChIKey is OTLYOWQZNBVWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-11-8(2)9-5-4-6-10-7-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)oxane?
3-(1-ethenoxyethyl)oxane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenoxyethyl)oxane is sourced from PubChem (CID 176602989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).