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

C30H48O7 — CID 89216165

IUPAC2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane
SMILESCC1(C)OC1CCC1(C)OC1CCC1(C)OC1CC1OC1C1(CCC2OC2(C)CCC2OC2(C)C)CO1
InChIInChI=1S/C30H48O7/c1-25(2)19(33-25)8-12-27(5)21(35-27)10-14-29(7)23(37-29)16-18-24(32-18)30(17-31-30)15-11-22-28(6,36-22)13-9-20-26(3,4)34-20/h18-24H,8-17H2,1-7H3
InChIKeyHZCXXKYHOYOTGA-UHFFFAOYSA-N
MW520.71 g/mol
LogP4.86
Rot. Bonds15

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

2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane (PubChem CID 89216165) has the molecular formula C30H48O7 and a molecular weight of 520.71 g/mol. Its IUPAC name is 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane
PubChem CID89216165
Molecular FormulaC30H48O7
Molecular Weight520.71 g/mol
Exact Mass520.34
IUPAC Name2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane
SMILESCC1(C)OC1CCC1(C)OC1CCC1(C)OC1CC1OC1C1(CCC2OC2(C)CCC2OC2(C)C)CO1
InChIInChI=1S/C30H48O7/c1-25(2)19(33-25)8-12-27(5)21(35-27)10-14-29(7)23(37-29)16-18-24(32-18)30(17-31-30)15-11-22-28(6,36-22)13-9-20-26(3,4)34-20/h18-24H,8-17H2,1-7H3
InChIKeyHZCXXKYHOYOTGA-UHFFFAOYSA-N
XLogP4.86
TPSA87.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
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-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane?
The IUPAC name of 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane (CID 89216165) is 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane.
What is the SMILES notation for 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane?
The canonical SMILES for 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane is CC1(C)OC1CCC1(C)OC1CCC1(C)OC1CC1OC1C1(CCC2OC2(C)CCC2OC2(C)C)CO1.
What is the InChIKey of 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane?
The InChIKey is HZCXXKYHOYOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O7/c1-25(2)19(33-25)8-12-27(5)21(35-27)10-14-29(7)23(37-29)16-18-24(32-18)30(17-31-30)15-11-22-28(6,36-22)13-9-20-26(3,4)34-20/h18-24H,8-17H2,1-7H3.
What are the key properties of 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane?
2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane has a molecular weight of 520.71 g/mol, XLogP of 4.86, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-[[3-[2-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]oxiran-2-yl]methyl]-2-methyloxirane is sourced from PubChem (CID 89216165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).