4-(1-ethenoxyethyl)oxane

C9H16O2 — CID 176603698

IUPAC4-(1-ethenoxyethyl)oxane
SMILESC=COC(C)C1CCOCC1
InChIInChI=1S/C9H16O2/c1-3-11-8(2)9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3
InChIKeyJKPGDSDONSGRAQ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 4-(1-ethenoxyethyl)oxane

4-(1-ethenoxyethyl)oxane (PubChem CID 176603698) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(1-ethenoxyethyl)oxane.

Molecular Properties

Compound Name4-(1-ethenoxyethyl)oxane
PubChem CID176603698
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(1-ethenoxyethyl)oxane
SMILESC=COC(C)C1CCOCC1
InChIInChI=1S/C9H16O2/c1-3-11-8(2)9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3
InChIKeyJKPGDSDONSGRAQ-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

4-(1-ethenoxyethyl)thiane
CID 176604130
4-(1-ethenoxyethyl)cyclohexan-1-ol
CID 68532112
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine
CID 115890310
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
CID 165012201
dihexyl-[1-(oxan-4-yl)ethoxy]alumane
CID 139905185
(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
CID 124709657
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenoxyethyl)oxane?
The IUPAC name of 4-(1-ethenoxyethyl)oxane (CID 176603698) is 4-(1-ethenoxyethyl)oxane.
What is the SMILES notation for 4-(1-ethenoxyethyl)oxane?
The canonical SMILES for 4-(1-ethenoxyethyl)oxane is C=COC(C)C1CCOCC1.
What is the InChIKey of 4-(1-ethenoxyethyl)oxane?
The InChIKey is JKPGDSDONSGRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-11-8(2)9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 4-(1-ethenoxyethyl)oxane?
4-(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 4-(1-ethenoxyethyl)oxane is sourced from PubChem (CID 176603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).