1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate

C19H26O5 — CID 89174505

IUPAC1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate
SMILESCCC1(COCCOC(C)OC(=O)/C=C/c2ccccc2)COC1
InChIInChI=1S/C19H26O5/c1-3-19(14-22-15-19)13-21-11-12-23-16(2)24-18(20)10-9-17-7-5-4-6-8-17/h4-10,16H,3,11-15H2,1-2H3/b10-9+
InChIKeyFLTCEOXQGWRPJC-MDZDMXLPSA-N
MW334.41 g/mol
LogP3.05
Rot. Bonds10

About 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate

1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate (PubChem CID 89174505) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate
PubChem CID89174505
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate
SMILESCCC1(COCCOC(C)OC(=O)/C=C/c2ccccc2)COC1
InChIInChI=1S/C19H26O5/c1-3-19(14-22-15-19)13-21-11-12-23-16(2)24-18(20)10-9-17-7-5-4-6-8-17/h4-10,16H,3,11-15H2,1-2H3/b10-9+
InChIKeyFLTCEOXQGWRPJC-MDZDMXLPSA-N
XLogP3.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybutoxy)ethyl (E)-3-phenylprop-2-enoate
CID 143811808
3-ethyl-3-[[(E)-3-phenylprop-2-enoxy]methyl]oxetane
CID 20736586
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (E)-3-phenylprop-2-enoate
CID 25172089
1-chloropropyl (E)-3-phenylprop-2-enoate
CID 19931493
1-methoxypropan-2-yl (E)-3-phenylprop-2-enoate
CID 175028652
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-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
1-[4-[1-[(E)-3-phenylprop-2-enoyl]oxyethoxy]butoxy]ethyl 2-(2,4-dihydro-1,3-benzoxazin-3-yl)propanoate
CID 89174464
[1-[2-[3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]prop-2-enoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]prop-2-enoate
CID 76589276
4-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]benzoic acid
CID 58090307
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
diaminomethyl 3-phenylprop-2-enoate
CID 59346009

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate (CID 89174505) is 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate is CCC1(COCCOC(C)OC(=O)/C=C/c2ccccc2)COC1.
What is the InChIKey of 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate?
The InChIKey is FLTCEOXQGWRPJC-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H26O5/c1-3-19(14-22-15-19)13-21-11-12-23-16(2)24-18(20)10-9-17-7-5-4-6-8-17/h4-10,16H,3,11-15H2,1-2H3/b10-9+.
What are the key properties of 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate?
1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate has a molecular weight of 334.41 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 89174505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).