methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate

C14H18O4 — CID 91609014

IUPACmethyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
SMILESCOC(=O)CC1CC(C)OC(c2ccccc2)O1
InChIInChI=1S/C14H18O4/c1-10-8-12(9-13(15)16-2)18-14(17-10)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyYUWBZHUZTXEJNE-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate

methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate (PubChem CID 91609014) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
PubChem CID91609014
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
SMILESCOC(=O)CC1CC(C)OC(c2ccccc2)O1
InChIInChI=1S/C14H18O4/c1-10-8-12(9-13(15)16-2)18-14(17-10)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyYUWBZHUZTXEJNE-UHFFFAOYSA-N
XLogP2.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
CID 11749823
4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)benzoic acid
CID 23561892
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
CID 91399868
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl (E)-2-methyl-3-[(4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 10989502
tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate
CID 101165772
methyl (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-methyl-1,3-dioxan-4-yl]but-2-enoate
CID 135027244
ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate
CID 143247703
methyl 2-[2-(3-chlorophenyl)-1,3-dioxolan-4-yl]acetate
CID 117169838
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate (CID 91609014) is methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate is COC(=O)CC1CC(C)OC(c2ccccc2)O1.
What is the InChIKey of methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate?
The InChIKey is YUWBZHUZTXEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10-8-12(9-13(15)16-2)18-14(17-10)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3.
What are the key properties of methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate?
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate has a molecular weight of 250.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate is sourced from PubChem (CID 91609014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).