2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole

C7H10O3 — CID 141322221

IUPAC2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole
SMILESCC1(C)OC=C([C@H]2CO2)O1
InChIInChI=1S/C7H10O3/c1-7(2)9-4-6(10-7)5-3-8-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyJWQXEHJKZPIMPN-RXMQYKEDSA-N
MW142.15 g/mol
LogP1.01
Rot. Bonds1

About 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole

2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole (PubChem CID 141322221) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole
PubChem CID141322221
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole
SMILESCC1(C)OC=C([C@H]2CO2)O1
InChIInChI=1S/C7H10O3/c1-7(2)9-4-6(10-7)5-3-8-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyJWQXEHJKZPIMPN-RXMQYKEDSA-N
XLogP1.01
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole?
The IUPAC name of 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole (CID 141322221) is 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole.
What is the SMILES notation for 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole?
The canonical SMILES for 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole is CC1(C)OC=C([C@H]2CO2)O1.
What is the InChIKey of 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole?
The InChIKey is JWQXEHJKZPIMPN-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(2)9-4-6(10-7)5-3-8-5/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole?
2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole has a molecular weight of 142.15 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-dioxole is sourced from PubChem (CID 141322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).