ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate

C17H24O4 — CID 88740780

IUPACethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
SMILESCCOC(=O)OC1(CCCCCCc2ccccc2)CO1
InChIInChI=1S/C17H24O4/c1-2-19-16(18)21-17(14-20-17)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3
InChIKeyATBBOFNDNSJTBE-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.08
Rot. Bonds9

About ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate

ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate (PubChem CID 88740780) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
PubChem CID88740780
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
SMILESCCOC(=O)OC1(CCCCCCc2ccccc2)CO1
InChIInChI=1S/C17H24O4/c1-2-19-16(18)21-17(14-20-17)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3
InChIKeyATBBOFNDNSJTBE-UHFFFAOYSA-N
XLogP4.08
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate
CID 88707237
[2-[4-(3,4-dichlorophenyl)butyl]oxiran-2-yl] ethyl carbonate
CID 88742172
[2-[3-(3-chlorophenyl)propyl]oxiran-2-yl] ethyl carbonate
CID 88741415
methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate
CID 88707529
ethyl 6-phenylhexyl carbonate
CID 67250774
[2-(7-cyclohexylheptyl)oxiran-2-yl] ethyl carbonate
CID 88708633
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
ethyl 5,5-diphenyl-2-(2-phenylethyl)-1,3-dioxane-2-carboxylate
CID 141017427
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
heptyl 7-phenylheptyl carbonate
CID 67251382

Frequently Asked Questions

What is the IUPAC name of ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate?
The IUPAC name of ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate (CID 88740780) is ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate.
What is the SMILES notation for ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate?
The canonical SMILES for ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate is CCOC(=O)OC1(CCCCCCc2ccccc2)CO1.
What is the InChIKey of ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate?
The InChIKey is ATBBOFNDNSJTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-19-16(18)21-17(14-20-17)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3.
What are the key properties of ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate?
ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate has a molecular weight of 292.38 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate is sourced from PubChem (CID 88740780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).