2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane

C10H20O2 — CID 91348346

IUPAC2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane
SMILESCC(OCC(C)(C)C)C1OC1C
InChIInChI=1S/C10H20O2/c1-7(9-8(2)12-9)11-6-10(3,4)5/h7-9H,6H2,1-5H3
InChIKeyJJBIYVHGDVHZFZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.22
Rot. Bonds3

About 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane

2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane (PubChem CID 91348346) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane
PubChem CID91348346
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane
SMILESCC(OCC(C)(C)C)C1OC1C
InChIInChI=1S/C10H20O2/c1-7(9-8(2)12-9)11-6-10(3,4)5/h7-9H,6H2,1-5H3
InChIKeyJJBIYVHGDVHZFZ-UHFFFAOYSA-N
XLogP2.22
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] ethanesulfonate
CID 166571378
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
2-ethyl-3-[1-[1-(3-methyloxiran-2-yl)propoxy]ethyl]oxirane
CID 154956648
N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine
CID 91050135
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
CID 160593936
2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 12583349
2-bromo-4-methoxypentan-3-ol;2-(1-methoxyethyl)-3-methyloxirane
CID 159840609
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
2-(3,3-dimethylbutoxy)-3-methyloxirane
CID 91327562
4-methyl-1-(3-methyloxiran-2-yl)pentan-1-ol
CID 88870107
2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
CID 150347189
(2S,3S,5R)-2-(2,2-dimethylpropyl)-5-methyloxolane-3,4-diol
CID 160706995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane?
The IUPAC name of 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane (CID 91348346) is 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane.
What is the SMILES notation for 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane?
The canonical SMILES for 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane is CC(OCC(C)(C)C)C1OC1C.
What is the InChIKey of 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane?
The InChIKey is JJBIYVHGDVHZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(9-8(2)12-9)11-6-10(3,4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane?
2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane has a molecular weight of 172.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane is sourced from PubChem (CID 91348346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).