2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate

C12H20O7 — CID 21356677

IUPAC2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
SMILESCOCCOCCOC(=O)C[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C12H20O7/c1-12(2)18-9(11(14)19-12)8-10(13)17-7-6-16-5-4-15-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyMHJUUHMDBUCMPQ-SECBINFHSA-N
MW276.28 g/mol
LogP0.26
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate

2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate (PubChem CID 21356677) has the molecular formula C12H20O7 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
PubChem CID21356677
Molecular FormulaC12H20O7
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
SMILESCOCCOCCOC(=O)C[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C12H20O7/c1-12(2)18-9(11(14)19-12)8-10(13)17-7-6-16-5-4-15-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyMHJUUHMDBUCMPQ-SECBINFHSA-N
XLogP0.26
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate (CID 21356677) is 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate is COCCOCCOC(=O)C[C@H]1OC(C)(C)OC1=O.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
The InChIKey is MHJUUHMDBUCMPQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H20O7/c1-12(2)18-9(11(14)19-12)8-10(13)17-7-6-16-5-4-15-3/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate has a molecular weight of 276.28 g/mol, XLogP of 0.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 21356677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).