ethane;tetrakis(2-(phenoxymethyl)oxirane)

C38H46O8 — CID 160621496

IUPACethane;tetrakis(2-(phenoxymethyl)oxirane)
SMILESCC.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/4C9H10O2.C2H6/c4*1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h4*1-5,9H,6-7H2;1-2H3
InChIKeyRGTKRVOOWZPIFV-UHFFFAOYSA-N
MW630.78 g/mol
LogP6.88
Rot. Bonds12

About ethane;tetrakis(2-(phenoxymethyl)oxirane)

ethane;tetrakis(2-(phenoxymethyl)oxirane) (PubChem CID 160621496) has the molecular formula C38H46O8 and a molecular weight of 630.78 g/mol. Its IUPAC name is ethane;tetrakis(2-(phenoxymethyl)oxirane).

Molecular Properties

Compound Nameethane;tetrakis(2-(phenoxymethyl)oxirane)
PubChem CID160621496
Molecular FormulaC38H46O8
Molecular Weight630.78 g/mol
Exact Mass630.32
IUPAC Nameethane;tetrakis(2-(phenoxymethyl)oxirane)
SMILESCC.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/4C9H10O2.C2H6/c4*1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h4*1-5,9H,6-7H2;1-2H3
InChIKeyRGTKRVOOWZPIFV-UHFFFAOYSA-N
XLogP6.88
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
ethene;2-(phenoxymethyl)oxirane
CID 135283522
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
anisole;bis(1,4-diethylbenzene);ethane;2-(phenoxymethyl)oxirane
CID 157404287
1,3-ditert-butylbenzene;ethane;methane;bis(2-(phenoxymethyl)oxirane)
CID 160560023
cumene;ethane;bis(2-(methoxymethyl)oxirane);tris(2-(phenoxymethyl)oxirane)
CID 158628224
7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
CID 158637466
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(2-(phenoxymethyl)oxirane)
CID 161223554

Frequently Asked Questions

What is the IUPAC name of ethane;tetrakis(2-(phenoxymethyl)oxirane)?
The IUPAC name of ethane;tetrakis(2-(phenoxymethyl)oxirane) (CID 160621496) is ethane;tetrakis(2-(phenoxymethyl)oxirane).
What is the SMILES notation for ethane;tetrakis(2-(phenoxymethyl)oxirane)?
The canonical SMILES for ethane;tetrakis(2-(phenoxymethyl)oxirane) is CC.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of ethane;tetrakis(2-(phenoxymethyl)oxirane)?
The InChIKey is RGTKRVOOWZPIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H10O2.C2H6/c4*1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h4*1-5,9H,6-7H2;1-2H3.
What are the key properties of ethane;tetrakis(2-(phenoxymethyl)oxirane)?
ethane;tetrakis(2-(phenoxymethyl)oxirane) has a molecular weight of 630.78 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetrakis(2-(phenoxymethyl)oxirane) is sourced from PubChem (CID 160621496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).