2-(1-ethenoxyethyl)oxane

C9H16O2 — CID 176603221

IUPAC2-(1-ethenoxyethyl)oxane
SMILESC=COC(C)C1CCCCO1
InChIInChI=1S/C9H16O2/c1-3-10-8(2)9-6-4-5-7-11-9/h3,8-9H,1,4-7H2,2H3
InChIKeySUWCQDFLVCDMFR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-ethenoxyethyl)oxane

2-(1-ethenoxyethyl)oxane (PubChem CID 176603221) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)oxane.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)oxane
PubChem CID176603221
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-ethenoxyethyl)oxane
SMILESC=COC(C)C1CCCCO1
InChIInChI=1S/C9H16O2/c1-3-10-8(2)9-6-4-5-7-11-9/h3,8-9H,1,4-7H2,2H3
InChIKeySUWCQDFLVCDMFR-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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

2-Hexyl-1,4-dioxane
CID 12555016
2-Heptyl-1,4-dioxane
CID 12008872
Tetrahydropyranylather
CID 129641669
(2R,3R,5S)-5-hexyl-2,3-dimethyl-1,4-dioxane
CID 121011929
(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane
CID 121011930
2-(Ethoxymethyl)-6-methyloxane
CID 135040416
2-Octyl-1,4-dioxane
CID 12555017
2-Decyl-1,4-dioxane
CID 12555018
2-Pentyl-1,4-dioxane
CID 15153810
2-Ethyl-6-octyl-1,4-dioxane
CID 22761445
5-Hexyl-2,3-dimethyl-1,4-dioxane
CID 22761446
3-Methyl-2,3,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrocyclododeca[b][1,4]dioxine
CID 22761448

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)oxane?
The IUPAC name of 2-(1-ethenoxyethyl)oxane (CID 176603221) is 2-(1-ethenoxyethyl)oxane.
What is the SMILES notation for 2-(1-ethenoxyethyl)oxane?
The canonical SMILES for 2-(1-ethenoxyethyl)oxane is C=COC(C)C1CCCCO1.
What is the InChIKey of 2-(1-ethenoxyethyl)oxane?
The InChIKey is SUWCQDFLVCDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-8(2)9-6-4-5-7-11-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)oxane?
2-(1-ethenoxyethyl)oxane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)oxane is sourced from PubChem (CID 176603221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).