methyl 5-methoxy-2-methyloxane-2-carboxylate

C9H16O4 — CID 149285012

IUPACmethyl 5-methoxy-2-methyloxane-2-carboxylate
SMILESCOC(=O)C1(C)CCC(OC)CO1
InChIInChI=1S/C9H16O4/c1-9(8(10)12-3)5-4-7(11-2)6-13-9/h7H,4-6H2,1-3H3
InChIKeyXTSBEBZILULABF-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.74
Rot. Bonds2

About methyl 5-methoxy-2-methyloxane-2-carboxylate

methyl 5-methoxy-2-methyloxane-2-carboxylate (PubChem CID 149285012) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 5-methoxy-2-methyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-methyloxane-2-carboxylate
PubChem CID149285012
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 5-methoxy-2-methyloxane-2-carboxylate
SMILESCOC(=O)C1(C)CCC(OC)CO1
InChIInChI=1S/C9H16O4/c1-9(8(10)12-3)5-4-7(11-2)6-13-9/h7H,4-6H2,1-3H3
InChIKeyXTSBEBZILULABF-UHFFFAOYSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-1-methylcyclopentane-1-carboxylate
CID 141171024
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
5-methoxy-2,2-dimethyl-1,3-dioxane
CID 59156430
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
dimethyl 2-methylcyclobutane-1,1-dicarboxylate
CID 574749
[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate
CID 59903872
(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane
CID 174109479
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240
methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
4-methoxycyclohexane-1,1-dicarboxylate
CID 140732737

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-methyloxane-2-carboxylate?
The IUPAC name of methyl 5-methoxy-2-methyloxane-2-carboxylate (CID 149285012) is methyl 5-methoxy-2-methyloxane-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-2-methyloxane-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-2-methyloxane-2-carboxylate is COC(=O)C1(C)CCC(OC)CO1.
What is the InChIKey of methyl 5-methoxy-2-methyloxane-2-carboxylate?
The InChIKey is XTSBEBZILULABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(8(10)12-3)5-4-7(11-2)6-13-9/h7H,4-6H2,1-3H3.
What are the key properties of methyl 5-methoxy-2-methyloxane-2-carboxylate?
methyl 5-methoxy-2-methyloxane-2-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2-methyloxane-2-carboxylate is sourced from PubChem (CID 149285012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).