methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate

C10H16O4 — CID 124567331

IUPACmethyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate
SMILESCO/C=C1\CCO[C@@](C)(C(=O)OC)C1
InChIInChI=1S/C10H16O4/c1-10(9(11)13-3)6-8(7-12-2)4-5-14-10/h7H,4-6H2,1-3H3/b8-7+/t10-/m1/s1
InChIKeyJTWNZEVWAZZPMK-QROSGCPLSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds2

About methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate

methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate (PubChem CID 124567331) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate
PubChem CID124567331
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate
SMILESCO/C=C1\CCO[C@@](C)(C(=O)OC)C1
InChIInChI=1S/C10H16O4/c1-10(9(11)13-3)6-8(7-12-2)4-5-14-10/h7H,4-6H2,1-3H3/b8-7+/t10-/m1/s1
InChIKeyJTWNZEVWAZZPMK-QROSGCPLSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate
CID 155591680
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methyl 3-(bromomethyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 122388954
methyl 2-methyl-5-oxo-1,4-dioxane-2-carboxylate
CID 122498790
methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362872
methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate
CID 14329710
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl 2-iodo-1,3-dioxolane-2-carboxylate
CID 146529890
methyl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 907846

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate?
The IUPAC name of methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate (CID 124567331) is methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate?
The canonical SMILES for methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate is CO/C=C1\CCO[C@@](C)(C(=O)OC)C1.
What is the InChIKey of methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate?
The InChIKey is JTWNZEVWAZZPMK-QROSGCPLSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(9(11)13-3)6-8(7-12-2)4-5-14-10/h7H,4-6H2,1-3H3/b8-7+/t10-/m1/s1.
What are the key properties of methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate?
methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4E)-4-(methoxymethylidene)-2-methyloxane-2-carboxylate is sourced from PubChem (CID 124567331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).