2,4,5-trimethoxy-3,3-dimethyloxolane

C9H18O4 — CID 59046389

IUPAC2,4,5-trimethoxy-3,3-dimethyloxolane
SMILESCOC1OC(OC)C(C)(C)C1OC
InChIInChI=1S/C9H18O4/c1-9(2)6(10-3)7(11-4)13-8(9)12-5/h6-8H,1-5H3
InChIKeyHZLMVEHIKYPKNT-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.00
Rot. Bonds3

About 2,4,5-trimethoxy-3,3-dimethyloxolane

2,4,5-trimethoxy-3,3-dimethyloxolane (PubChem CID 59046389) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,4,5-trimethoxy-3,3-dimethyloxolane.

Molecular Properties

Compound Name2,4,5-trimethoxy-3,3-dimethyloxolane
PubChem CID59046389
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2,4,5-trimethoxy-3,3-dimethyloxolane
SMILESCOC1OC(OC)C(C)(C)C1OC
InChIInChI=1S/C9H18O4/c1-9(2)6(10-3)7(11-4)13-8(9)12-5/h6-8H,1-5H3
InChIKeyHZLMVEHIKYPKNT-UHFFFAOYSA-N
XLogP1.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-3,3-dimethyloxolane?
The IUPAC name of 2,4,5-trimethoxy-3,3-dimethyloxolane (CID 59046389) is 2,4,5-trimethoxy-3,3-dimethyloxolane.
What is the SMILES notation for 2,4,5-trimethoxy-3,3-dimethyloxolane?
The canonical SMILES for 2,4,5-trimethoxy-3,3-dimethyloxolane is COC1OC(OC)C(C)(C)C1OC.
What is the InChIKey of 2,4,5-trimethoxy-3,3-dimethyloxolane?
The InChIKey is HZLMVEHIKYPKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(2)6(10-3)7(11-4)13-8(9)12-5/h6-8H,1-5H3.
What are the key properties of 2,4,5-trimethoxy-3,3-dimethyloxolane?
2,4,5-trimethoxy-3,3-dimethyloxolane has a molecular weight of 190.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-3,3-dimethyloxolane is sourced from PubChem (CID 59046389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).