3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane

C11H20O2 — CID 135036823

IUPAC3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane
SMILESCOC[C@@H]1[C@@H](C2OC2(C)C)C1(C)C
InChIInChI=1S/C11H20O2/c1-10(2)7(6-12-5)8(10)9-11(3,4)13-9/h7-9H,6H2,1-5H3/t7-,8+,9?/m1/s1
InChIKeyCSQBTNXOUCPYIK-WGTSGOJVSA-N
MW184.28 g/mol
LogP2.08
Rot. Bonds3

About 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane

3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane (PubChem CID 135036823) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane
PubChem CID135036823
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane
SMILESCOC[C@@H]1[C@@H](C2OC2(C)C)C1(C)C
InChIInChI=1S/C11H20O2/c1-10(2)7(6-12-5)8(10)9-11(3,4)13-9/h7-9H,6H2,1-5H3/t7-,8+,9?/m1/s1
InChIKeyCSQBTNXOUCPYIK-WGTSGOJVSA-N
XLogP2.08
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane (CID 135036823) is 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane is COC[C@@H]1[C@@H](C2OC2(C)C)C1(C)C.
What is the InChIKey of 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane?
The InChIKey is CSQBTNXOUCPYIK-WGTSGOJVSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7(6-12-5)8(10)9-11(3,4)13-9/h7-9H,6H2,1-5H3/t7-,8+,9?/m1/s1.
What are the key properties of 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane?
3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane has a molecular weight of 184.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane is sourced from PubChem (CID 135036823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).