ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate

C17H24O5 — CID 88707237

IUPACethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate
SMILESCCOC(=O)OC1(CCOCCCCc2ccccc2)CO1
InChIInChI=1S/C17H24O5/c1-2-20-16(18)22-17(14-21-17)11-13-19-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyJJFSPTOZFZUKNP-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.32
Rot. Bonds10

About ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate

ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate (PubChem CID 88707237) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate
PubChem CID88707237
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Nameethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate
SMILESCCOC(=O)OC1(CCOCCCCc2ccccc2)CO1
InChIInChI=1S/C17H24O5/c1-2-20-16(18)22-17(14-21-17)11-13-19-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyJJFSPTOZFZUKNP-UHFFFAOYSA-N
XLogP3.32
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
CID 88740780
methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate
CID 88707529
[2-[3-(3-chlorophenyl)propyl]oxiran-2-yl] ethyl carbonate
CID 88741415
propyl 2-[3-(4-phenylbutoxy)propyl]oxirane-2-carboxylate
CID 54252816
ethyl 6-phenylhexyl carbonate
CID 67250774
[2-[4-(3,4-dichlorophenyl)butyl]oxiran-2-yl] ethyl carbonate
CID 88742172
triethyl 1-hydroxy-2-[4-(4-phenylbutoxy)butoxy]ethane-1,1,2-tricarboxylate
CID 139655703
6-ethoxyhexylbenzene
CID 54300935
8-(8-phenyloctoxy)octylbenzene
CID 56628536
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833

Frequently Asked Questions

What is the IUPAC name of ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate?
The IUPAC name of ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate (CID 88707237) is ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate.
What is the SMILES notation for ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate?
The canonical SMILES for ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate is CCOC(=O)OC1(CCOCCCCc2ccccc2)CO1.
What is the InChIKey of ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate?
The InChIKey is JJFSPTOZFZUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-2-20-16(18)22-17(14-21-17)11-13-19-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3.
What are the key properties of ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate?
ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate has a molecular weight of 308.37 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate is sourced from PubChem (CID 88707237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).