4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one

C10H18O5 — CID 12678995

IUPAC4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one
SMILESCOC(OC)(OC)C1C(=O)OCC1(C)C
InChIInChI=1S/C10H18O5/c1-9(2)6-15-8(11)7(9)10(12-3,13-4)14-5/h7H,6H2,1-5H3
InChIKeyOZEWUYVVGCAHKD-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.78
Rot. Bonds4

About 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one

4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one (PubChem CID 12678995) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one
PubChem CID12678995
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one
SMILESCOC(OC)(OC)C1C(=O)OCC1(C)C
InChIInChI=1S/C10H18O5/c1-9(2)6-15-8(11)7(9)10(12-3,13-4)14-5/h7H,6H2,1-5H3
InChIKeyOZEWUYVVGCAHKD-UHFFFAOYSA-N
XLogP0.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one?
The IUPAC name of 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one (CID 12678995) is 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one.
What is the SMILES notation for 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one?
The canonical SMILES for 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one is COC(OC)(OC)C1C(=O)OCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one?
The InChIKey is OZEWUYVVGCAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2)6-15-8(11)7(9)10(12-3,13-4)14-5/h7H,6H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one?
4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one has a molecular weight of 218.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one is sourced from PubChem (CID 12678995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).