2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane

C14H18O — CID 22177287

IUPAC2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
SMILESCCC1(C/C=C/c2ccccc2)CCO1
InChIInChI=1S/C14H18O/c1-2-14(11-12-15-14)10-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+
InChIKeyKWCAHVPZNYJJJS-RMKNXTFCSA-N
MW202.30 g/mol
LogP3.66
Rot. Bonds4

About 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane

2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane (PubChem CID 22177287) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane.

Molecular Properties

Compound Name2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
PubChem CID22177287
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
SMILESCCC1(C/C=C/c2ccccc2)CCO1
InChIInChI=1S/C14H18O/c1-2-14(11-12-15-14)10-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+
InChIKeyKWCAHVPZNYJJJS-RMKNXTFCSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane?
The IUPAC name of 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane (CID 22177287) is 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane.
What is the SMILES notation for 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane?
The canonical SMILES for 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane is CCC1(C/C=C/c2ccccc2)CCO1.
What is the InChIKey of 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane?
The InChIKey is KWCAHVPZNYJJJS-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H18O/c1-2-14(11-12-15-14)10-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+.
What are the key properties of 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane?
2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane has a molecular weight of 202.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane is sourced from PubChem (CID 22177287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).