2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane

C12H20O3 — CID 141395074

IUPAC2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane
SMILESCCC(C1(C)CO1)(C1(C)CO1)C1(C)CO1
InChIInChI=1S/C12H20O3/c1-5-12(9(2)6-13-9,10(3)7-14-10)11(4)8-15-11/h5-8H2,1-4H3
InChIKeyJTUWSYCBVOAICM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.75
Rot. Bonds4

About 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane

2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane (PubChem CID 141395074) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane
PubChem CID141395074
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane
SMILESCCC(C1(C)CO1)(C1(C)CO1)C1(C)CO1
InChIInChI=1S/C12H20O3/c1-5-12(9(2)6-13-9,10(3)7-14-10)11(4)8-15-11/h5-8H2,1-4H3
InChIKeyJTUWSYCBVOAICM-UHFFFAOYSA-N
XLogP1.75
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.75
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

2-methyl-2-pentan-2-yloxirane
CID 139725922
2,2-diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
CID 142046748
5-ethyl-N,2,2-trimethyl-1,3-dioxan-5-amine
CID 158022985
N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
CID 141353079
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
2-ethyl-2-(trifluoromethyl)oxirane
CID 23233498
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
2,2-dimethyloxirane;methanol
CID 161373463
2-chloro-2-methyloxirane
CID 15120421
2,2,5-triethyl-5-methylmorpholine
CID 114494551
(2S)-2-(chloromethyl)-2-methyloxirane
CID 7164677

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane?
The IUPAC name of 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane (CID 141395074) is 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane.
What is the SMILES notation for 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane?
The canonical SMILES for 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane is CCC(C1(C)CO1)(C1(C)CO1)C1(C)CO1.
What is the InChIKey of 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane?
The InChIKey is JTUWSYCBVOAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-12(9(2)6-13-9,10(3)7-14-10)11(4)8-15-11/h5-8H2,1-4H3.
What are the key properties of 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane?
2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane has a molecular weight of 212.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane is sourced from PubChem (CID 141395074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).