2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane

C30H48O7 — CID 89216309

IUPAC2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane
SMILESCC1(C)OC1CCC1(C)OC1CCC1(CCC2OC2C2(CCC3OC3(C)CCC3OC3(C)C)CO2)CO1
InChIInChI=1S/C30H48O7/c1-25(2)20(34-25)8-12-27(5)22(36-27)10-15-29(17-31-29)14-7-19-24(33-19)30(18-32-30)16-11-23-28(6,37-23)13-9-21-26(3,4)35-21/h19-24H,7-18H2,1-6H3
InChIKeyHUUSZZYJOYYTPZ-UHFFFAOYSA-N
MW520.71 g/mol
LogP4.86
Rot. Bonds16

About 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane

2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane (PubChem CID 89216309) has the molecular formula C30H48O7 and a molecular weight of 520.71 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane
PubChem CID89216309
Molecular FormulaC30H48O7
Molecular Weight520.71 g/mol
Exact Mass520.34
IUPAC Name2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane
SMILESCC1(C)OC1CCC1(C)OC1CCC1(CCC2OC2C2(CCC3OC3(C)CCC3OC3(C)C)CO2)CO1
InChIInChI=1S/C30H48O7/c1-25(2)20(34-25)8-12-27(5)22(36-27)10-15-29(17-31-29)14-7-19-24(33-19)30(18-32-30)16-11-23-28(6,37-23)13-9-21-26(3,4)35-21/h19-24H,7-18H2,1-6H3
InChIKeyHUUSZZYJOYYTPZ-UHFFFAOYSA-N
XLogP4.86
TPSA87.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.71
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane?
The IUPAC name of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane (CID 89216309) is 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane.
What is the SMILES notation for 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane?
The canonical SMILES for 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane is CC1(C)OC1CCC1(C)OC1CCC1(CCC2OC2C2(CCC3OC3(C)CCC3OC3(C)C)CO2)CO1.
What is the InChIKey of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane?
The InChIKey is HUUSZZYJOYYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O7/c1-25(2)20(34-25)8-12-27(5)22(36-27)10-15-29(17-31-29)14-7-19-24(33-19)30(18-32-30)16-11-23-28(6,37-23)13-9-21-26(3,4)35-21/h19-24H,7-18H2,1-6H3.
What are the key properties of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane?
2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane has a molecular weight of 520.71 g/mol, XLogP of 4.86, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[2-[3-[2-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]ethyl]-2-methyloxirane is sourced from PubChem (CID 89216309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).