methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate

C15H24O6 — CID 102056592

IUPACmethyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate
SMILESCCC1(CC)OC[C@@H](C[C@@H]2OC(=O)C[C@@H]2CC(=O)OC)O1
InChIInChI=1S/C15H24O6/c1-4-15(5-2)19-9-11(21-15)8-12-10(6-13(16)18-3)7-14(17)20-12/h10-12H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyQVOJBTZLDUBLTE-TUAOUCFPSA-N
MW300.35 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate

methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate (PubChem CID 102056592) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate
PubChem CID102056592
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namemethyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate
SMILESCCC1(CC)OC[C@@H](C[C@@H]2OC(=O)C[C@@H]2CC(=O)OC)O1
InChIInChI=1S/C15H24O6/c1-4-15(5-2)19-9-11(21-15)8-12-10(6-13(16)18-3)7-14(17)20-12/h10-12H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyQVOJBTZLDUBLTE-TUAOUCFPSA-N
XLogP1.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]acetate
CID 117169919
methyl 2-[(1R,2S)-2-butyl-4-oxocyclopentyl]acetate
CID 54441543
(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
CID 131860944
methyl 2-[(4R,5S,7R,8R)-8-acetyl-4-methyl-2-oxo-1-oxaspiro[4.4]nonan-7-yl]acetate
CID 15330805
methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
CID 117169751
S-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl] ethanethioate
CID 87982834
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
(2,2-diethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate
CID 70958215
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
CID 170573008
methyl 2-[2-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]acetate
CID 117169995
methane;methyl 2-[(2R,3R)-2-ethyl-4-oxooxetan-3-yl]acetate;methyl 2-[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]acetate
CID 159541382
methyl 2-[(1S,2S)-2-pentylcyclopentyl]acetate
CID 68845600

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate?
The IUPAC name of methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate (CID 102056592) is methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate is CCC1(CC)OC[C@@H](C[C@@H]2OC(=O)C[C@@H]2CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate?
The InChIKey is QVOJBTZLDUBLTE-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H24O6/c1-4-15(5-2)19-9-11(21-15)8-12-10(6-13(16)18-3)7-14(17)20-12/h10-12H,4-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate?
methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate has a molecular weight of 300.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-5-oxooxolan-3-yl]acetate is sourced from PubChem (CID 102056592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).