2,3,4-trimethoxy-2-methyl-5-methylideneoxolane

C9H16O4 — CID 18721079

IUPAC2,3,4-trimethoxy-2-methyl-5-methylideneoxolane
SMILESC=C1OC(C)(OC)C(OC)C1OC
InChIInChI=1S/C9H16O4/c1-6-7(10-3)8(11-4)9(2,12-5)13-6/h7-8H,1H2,2-5H3
InChIKeyKEWWSVJXHVBAKT-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.92
Rot. Bonds3

About 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane

2,3,4-trimethoxy-2-methyl-5-methylideneoxolane (PubChem CID 18721079) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane.

Molecular Properties

Compound Name2,3,4-trimethoxy-2-methyl-5-methylideneoxolane
PubChem CID18721079
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2,3,4-trimethoxy-2-methyl-5-methylideneoxolane
SMILESC=C1OC(C)(OC)C(OC)C1OC
InChIInChI=1S/C9H16O4/c1-6-7(10-3)8(11-4)9(2,12-5)13-6/h7-8H,1H2,2-5H3
InChIKeyKEWWSVJXHVBAKT-UHFFFAOYSA-N
XLogP0.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane?
The IUPAC name of 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane (CID 18721079) is 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane.
What is the SMILES notation for 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane?
The canonical SMILES for 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane is C=C1OC(C)(OC)C(OC)C1OC.
What is the InChIKey of 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane?
The InChIKey is KEWWSVJXHVBAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-6-7(10-3)8(11-4)9(2,12-5)13-6/h7-8H,1H2,2-5H3.
What are the key properties of 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane?
2,3,4-trimethoxy-2-methyl-5-methylideneoxolane has a molecular weight of 188.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-2-methyl-5-methylideneoxolane is sourced from PubChem (CID 18721079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).