[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate

C10H18O5 — CID 126663287

IUPAC[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate
SMILESCOC(COC=O)OC1COC(C)(C)C1
InChIInChI=1S/C10H18O5/c1-10(2)4-8(5-14-10)15-9(12-3)6-13-7-11/h7-9H,4-6H2,1-3H3
InChIKeyIFXWMFLZDDFLCR-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.72
Rot. Bonds6

About [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate

[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate (PubChem CID 126663287) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate.

Molecular Properties

Compound Name[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate
PubChem CID126663287
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate
SMILESCOC(COC=O)OC1COC(C)(C)C1
InChIInChI=1S/C10H18O5/c1-10(2)4-8(5-14-10)15-9(12-3)6-13-7-11/h7-9H,4-6H2,1-3H3
InChIKeyIFXWMFLZDDFLCR-UHFFFAOYSA-N
XLogP0.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate?
The IUPAC name of [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate (CID 126663287) is [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate.
What is the SMILES notation for [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate?
The canonical SMILES for [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate is COC(COC=O)OC1COC(C)(C)C1.
What is the InChIKey of [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate?
The InChIKey is IFXWMFLZDDFLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-10(2)4-8(5-14-10)15-9(12-3)6-13-7-11/h7-9H,4-6H2,1-3H3.
What are the key properties of [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate?
[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate has a molecular weight of 218.25 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate is sourced from PubChem (CID 126663287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).