methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate

C11H20O5 — CID 7176363

IUPACmethyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)COC[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-8(10(12)13-4)5-14-6-9-7-15-11(2,3)16-9/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyCPRRDNQJFYDSPZ-IUCAKERBSA-N
MW232.28 g/mol
LogP0.96
Rot. Bonds5

About methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate

methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate (PubChem CID 7176363) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
PubChem CID7176363
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)COC[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-8(10(12)13-4)5-14-6-9-7-15-11(2,3)16-9/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyCPRRDNQJFYDSPZ-IUCAKERBSA-N
XLogP0.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate (CID 7176363) is methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate is COC(=O)[C@@H](C)COC[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate?
The InChIKey is CPRRDNQJFYDSPZ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20O5/c1-8(10(12)13-4)5-14-6-9-7-15-11(2,3)16-9/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate?
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate has a molecular weight of 232.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate is sourced from PubChem (CID 7176363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).