2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane

C12H22O5 — CID 15506994

IUPAC2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane
SMILESCC1(COCCOCCOCC2(C)CO2)CO1
InChIInChI=1S/C12H22O5/c1-11(9-16-11)7-14-5-3-13-4-6-15-8-12(2)10-17-12/h3-10H2,1-2H3
InChIKeyIZAPNAWRZNPIHT-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.61
Rot. Bonds10

About 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane

2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane (PubChem CID 15506994) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane
PubChem CID15506994
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane
SMILESCC1(COCCOCCOCC2(C)CO2)CO1
InChIInChI=1S/C12H22O5/c1-11(9-16-11)7-14-5-3-13-4-6-15-8-12(2)10-17-12/h3-10H2,1-2H3
InChIKeyIZAPNAWRZNPIHT-UHFFFAOYSA-N
XLogP0.61
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane (CID 15506994) is 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane is CC1(COCCOCCOCC2(C)CO2)CO1.
What is the InChIKey of 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane?
The InChIKey is IZAPNAWRZNPIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-11(9-16-11)7-14-5-3-13-4-6-15-8-12(2)10-17-12/h3-10H2,1-2H3.
What are the key properties of 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane?
2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane has a molecular weight of 246.30 g/mol, XLogP of 0.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[2-[(2-methyloxiran-2-yl)methoxy]ethoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 15506994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).