3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane

C15H20O2 — CID 20736586

IUPAC3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane
SMILESCCC1(COC/C=C/c2ccccc2)COC1
InChIInChI=1S/C15H20O2/c1-2-15(12-17-13-15)11-16-10-6-9-14-7-4-3-5-8-14/h3-9H,2,10-13H2,1H3/b9-6+
InChIKeyUPRSGMYPTGBWMN-RMKNXTFCSA-N
MW232.32 g/mol
LogP3.14
Rot. Bonds6

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

3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane (PubChem CID 20736586) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane
PubChem CID20736586
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane
SMILESCCC1(COC/C=C/c2ccccc2)COC1
InChIInChI=1S/C15H20O2/c1-2-15(12-17-13-15)11-16-10-6-9-14-7-4-3-5-8-14/h3-9H,2,10-13H2,1H3/b9-6+
InChIKeyUPRSGMYPTGBWMN-RMKNXTFCSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(3-phenylprop-2-enoxymethyl)cycloheptane
CID 77052675
1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate
CID 89174505
1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
CID 64573522
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
3-ethyl-3-[(2-phenylphenyl)methoxymethyl]oxetane
CID 139890005
4-N,4-N-bis[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59372141
3-ethyl-3-[(2-propylphenyl)methoxymethyl]oxetane
CID 174397153
3-ethyl-3-[[1-[(3-ethyloxetan-3-yl)methoxymethyl]-4-phenylcyclohexa-2,4-dien-1-yl]methoxymethyl]oxetane
CID 126507030
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 159566916
3-nonoxyprop-1-enylbenzene
CID 91487084

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane (CID 20736586) is 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane is CCC1(COC/C=C/c2ccccc2)COC1.
What is the InChIKey of 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane?
The InChIKey is UPRSGMYPTGBWMN-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-15(12-17-13-15)11-16-10-6-9-14-7-4-3-5-8-14/h3-9H,2,10-13H2,1H3/b9-6+.
What are the key properties of 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane?
3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane has a molecular weight of 232.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane is sourced from PubChem (CID 20736586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).