2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane

C15H24O4 — CID 89216037

IUPAC2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
SMILESCC1(C)OC1CCC1(C)OC1CCC1(C2CO2)CO1
InChIInChI=1S/C15H24O4/c1-13(2)10(18-13)4-6-14(3)11(19-14)5-7-15(9-17-15)12-8-16-12/h10-12H,4-9H2,1-3H3
InChIKeyZUUSEGOZIXDTDO-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.05
Rot. Bonds7

About 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane

2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane (PubChem CID 89216037) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
PubChem CID89216037
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
SMILESCC1(C)OC1CCC1(C)OC1CCC1(C2CO2)CO1
InChIInChI=1S/C15H24O4/c1-13(2)10(18-13)4-6-14(3)11(19-14)5-7-15(9-17-15)12-8-16-12/h10-12H,4-9H2,1-3H3
InChIKeyZUUSEGOZIXDTDO-UHFFFAOYSA-N
XLogP2.05
TPSA50.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane (CID 89216037) is 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane is CC1(C)OC1CCC1(C)OC1CCC1(C2CO2)CO1.
What is the InChIKey of 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The InChIKey is ZUUSEGOZIXDTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-13(2)10(18-13)4-6-14(3)11(19-14)5-7-15(9-17-15)12-8-16-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane has a molecular weight of 268.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-[2-methyl-3-[2-[2-(oxiran-2-yl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane is sourced from PubChem (CID 89216037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).