4-[(E)-but-2-enyl]oxane

C9H16O — CID 166726041

IUPAC4-[(E)-but-2-enyl]oxane
SMILESC/C=C/CC1CCOCC1
InChIInChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyHWBUGUONWJPMFW-NSCUHMNNSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 4-[(E)-but-2-enyl]oxane

4-[(E)-but-2-enyl]oxane (PubChem CID 166726041) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]oxane.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]oxane
PubChem CID166726041
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-[(E)-but-2-enyl]oxane
SMILESC/C=C/CC1CCOCC1
InChIInChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyHWBUGUONWJPMFW-NSCUHMNNSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-pent-2-enyl]oxane
CID 134407828
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
4-(5-chloropent-2-enyl)oxane
CID 79604115
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
ethyl 4-(oxan-4-yl)but-2-enoate
CID 68938273
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367
(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene
CID 173246216
3-but-2-enylpyrrolidine
CID 54482809
4-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 67805976
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614
1-(oxan-4-yl)propan-2-amine
CID 21054632

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]oxane?
The IUPAC name of 4-[(E)-but-2-enyl]oxane (CID 166726041) is 4-[(E)-but-2-enyl]oxane.
What is the SMILES notation for 4-[(E)-but-2-enyl]oxane?
The canonical SMILES for 4-[(E)-but-2-enyl]oxane is C/C=C/CC1CCOCC1.
What is the InChIKey of 4-[(E)-but-2-enyl]oxane?
The InChIKey is HWBUGUONWJPMFW-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]oxane?
4-[(E)-but-2-enyl]oxane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]oxane is sourced from PubChem (CID 166726041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).