2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane

C12H22O3 — CID 23618197

IUPAC2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
SMILESCC(C)(CC1CO1)OC(C)(C)CC1CO1
InChIInChI=1S/C12H22O3/c1-11(2,5-9-7-13-9)15-12(3,4)6-10-8-14-10/h9-10H,5-8H2,1-4H3
InChIKeyYAZUPJMUNAWINU-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane

2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane (PubChem CID 23618197) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
PubChem CID23618197
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
SMILESCC(C)(CC1CO1)OC(C)(C)CC1CO1
InChIInChI=1S/C12H22O3/c1-11(2,5-9-7-13-9)15-12(3,4)6-10-8-14-10/h9-10H,5-8H2,1-4H3
InChIKeyYAZUPJMUNAWINU-UHFFFAOYSA-N
XLogP2.14
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane
CID 174395501
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane
CID 131993565
2-(2-methoxy-2-methylbutyl)oxirane
CID 88854677
N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine
CID 134255520
2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
CID 123361559
(2S)-2,3,3-trimethyl-1-[(2R)-oxiran-2-yl]butan-2-ol
CID 125461857
2,4-dimethyl-1,5-bis(oxiran-2-yl)-2,4-bis(oxiran-2-ylmethyl)pentane-3,3-diamine
CID 175809508
2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
2-[2,2-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 140676181

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane?
The IUPAC name of 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane (CID 23618197) is 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane.
What is the SMILES notation for 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane?
The canonical SMILES for 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane is CC(C)(CC1CO1)OC(C)(C)CC1CO1.
What is the InChIKey of 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane?
The InChIKey is YAZUPJMUNAWINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,5-9-7-13-9)15-12(3,4)6-10-8-14-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane?
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane has a molecular weight of 214.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane is sourced from PubChem (CID 23618197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).