2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate

C12H22O7 — CID 58422665

IUPAC2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
SMILESCOCCOC(=O)OC(C)COC(C)COC(C)=O
InChIInChI=1S/C12H22O7/c1-9(7-18-11(3)13)17-8-10(2)19-12(14)16-6-5-15-4/h9-10H,5-8H2,1-4H3
InChIKeyITUNZCIFVVXRMY-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.14
Rot. Bonds9

About 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate

2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate (PubChem CID 58422665) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
PubChem CID58422665
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
SMILESCOCCOC(=O)OC(C)COC(C)COC(C)=O
InChIInChI=1S/C12H22O7/c1-9(7-18-11(3)13)17-8-10(2)19-12(14)16-6-5-15-4/h9-10H,5-8H2,1-4H3
InChIKeyITUNZCIFVVXRMY-UHFFFAOYSA-N
XLogP1.14
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.14
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-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate?
The IUPAC name of 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate (CID 58422665) is 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate.
What is the SMILES notation for 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate?
The canonical SMILES for 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate is COCCOC(=O)OC(C)COC(C)COC(C)=O.
What is the InChIKey of 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate?
The InChIKey is ITUNZCIFVVXRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c1-9(7-18-11(3)13)17-8-10(2)19-12(14)16-6-5-15-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate?
2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate has a molecular weight of 278.30 g/mol, XLogP of 1.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate is sourced from PubChem (CID 58422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).