methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate

C12H20O5 — CID 117169151

IUPACmethyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(CC2CCCCO2)O1
InChIInChI=1S/C12H20O5/c1-14-11(13)6-10-8-16-12(17-10)7-9-4-2-3-5-15-9/h9-10,12H,2-8H2,1H3
InChIKeyZQURXTGQVRQVIY-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate

methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117169151) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
PubChem CID117169151
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namemethyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(CC2CCCCO2)O1
InChIInChI=1S/C12H20O5/c1-14-11(13)6-10-8-16-12(17-10)7-9-4-2-3-5-15-9/h9-10,12H,2-8H2,1H3
InChIKeyZQURXTGQVRQVIY-UHFFFAOYSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117169263
methyl 3-(oxolan-2-ylmethyl)but-3-enoate
CID 117268632
methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
2-(oxan-2-ylmethyl)oxane
CID 67860654
O-methyl 2-(oxan-2-yl)ethanethioate
CID 19593899
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
methyl 2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 62026394

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate (CID 117169151) is methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(CC2CCCCO2)O1.
What is the InChIKey of methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is ZQURXTGQVRQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-14-11(13)6-10-8-16-12(17-10)7-9-4-2-3-5-15-9/h9-10,12H,2-8H2,1H3.
What are the key properties of methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 244.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117169151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).