methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate

C9H16O5 — CID 11241152

IUPACmethyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate
SMILESCOC(=O)CC1CCC(C)(OC)OO1
InChIInChI=1S/C9H16O5/c1-9(12-3)5-4-7(13-14-9)6-8(10)11-2/h7H,4-6H2,1-3H3
InChIKeyWSVFJQOPDCNUAU-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.02
Rot. Bonds3

About methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate

methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate (PubChem CID 11241152) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate
PubChem CID11241152
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namemethyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate
SMILESCOC(=O)CC1CCC(C)(OC)OO1
InChIInChI=1S/C9H16O5/c1-9(12-3)5-4-7(13-14-9)6-8(10)11-2/h7H,4-6H2,1-3H3
InChIKeyWSVFJQOPDCNUAU-UHFFFAOYSA-N
XLogP1.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate?
The IUPAC name of methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate (CID 11241152) is methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate is COC(=O)CC1CCC(C)(OC)OO1.
What is the InChIKey of methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate?
The InChIKey is WSVFJQOPDCNUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-9(12-3)5-4-7(13-14-9)6-8(10)11-2/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate?
methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate has a molecular weight of 204.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate is sourced from PubChem (CID 11241152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).