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

C10H18O — CID 134407828

IUPAC4-[(E)-pent-2-enyl]oxane
SMILESCC/C=C/CC1CCOCC1
InChIInChI=1S/C10H18O/c1-2-3-4-5-10-6-8-11-9-7-10/h3-4,10H,2,5-9H2,1H3/b4-3+
InChIKeyCAOICWRGKDBTAP-ONEGZZNKSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

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

4-[(E)-pent-2-enyl]oxane (PubChem CID 134407828) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-[(E)-pent-2-enyl]oxane.

Molecular Properties

Compound Name4-[(E)-pent-2-enyl]oxane
PubChem CID134407828
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-[(E)-pent-2-enyl]oxane
SMILESCC/C=C/CC1CCOCC1
InChIInChI=1S/C10H18O/c1-2-3-4-5-10-6-8-11-9-7-10/h3-4,10H,2,5-9H2,1H3/b4-3+
InChIKeyCAOICWRGKDBTAP-ONEGZZNKSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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)-but-2-enyl]oxane
CID 166726041
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
4-(5-chloropent-2-enyl)oxane
CID 79604115
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
ethyl 4-(oxan-4-yl)but-2-enoate
CID 68938273
3-ethyloxolane
CID 10996972
4-[(E)-pent-2-enyl]cyclohexene
CID 91748880
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
(Z)-5-(oxolan-3-yl)pent-3-en-1-ol
CID 117267415
butane;3-ethyloxolane
CID 143075797
1-but-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173282062
1-but-1-enyl-4-[4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54563730

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-2-enyl]oxane?
The IUPAC name of 4-[(E)-pent-2-enyl]oxane (CID 134407828) is 4-[(E)-pent-2-enyl]oxane.
What is the SMILES notation for 4-[(E)-pent-2-enyl]oxane?
The canonical SMILES for 4-[(E)-pent-2-enyl]oxane is CC/C=C/CC1CCOCC1.
What is the InChIKey of 4-[(E)-pent-2-enyl]oxane?
The InChIKey is CAOICWRGKDBTAP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-10-6-8-11-9-7-10/h3-4,10H,2,5-9H2,1H3/b4-3+.
What are the key properties of 4-[(E)-pent-2-enyl]oxane?
4-[(E)-pent-2-enyl]oxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-2-enyl]oxane is sourced from PubChem (CID 134407828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).