3,4,5-trimethoxy-2-methyloxane

C9H18O4 — CID 526691

IUPAC3,4,5-trimethoxy-2-methyloxane
SMILESCOC1COC(C)C(OC)C1OC
InChIInChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(10-2)5-13-6/h6-9H,5H2,1-4H3
InChIKeyVOHHBIXLBGOYCN-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.45
Rot. Bonds3

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

3,4,5-trimethoxy-2-methyloxane (PubChem CID 526691) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2-methyloxane.

Molecular Properties

Compound Name3,4,5-trimethoxy-2-methyloxane
PubChem CID526691
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3,4,5-trimethoxy-2-methyloxane
SMILESCOC1COC(C)C(OC)C1OC
InChIInChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(10-2)5-13-6/h6-9H,5H2,1-4H3
InChIKeyVOHHBIXLBGOYCN-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2-methyloxane?
The IUPAC name of 3,4,5-trimethoxy-2-methyloxane (CID 526691) is 3,4,5-trimethoxy-2-methyloxane.
What is the SMILES notation for 3,4,5-trimethoxy-2-methyloxane?
The canonical SMILES for 3,4,5-trimethoxy-2-methyloxane is COC1COC(C)C(OC)C1OC.
What is the InChIKey of 3,4,5-trimethoxy-2-methyloxane?
The InChIKey is VOHHBIXLBGOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-6-8(11-3)9(12-4)7(10-2)5-13-6/h6-9H,5H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-2-methyloxane?
3,4,5-trimethoxy-2-methyloxane has a molecular weight of 190.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-2-methyloxane is sourced from PubChem (CID 526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).