methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate

C11H22O6 — CID 100958872

IUPACmethyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate
SMILESCOC[C@H](C[C@](COC)(OC)C(=O)OC)OC
InChIInChI=1S/C11H22O6/c1-13-7-9(15-3)6-11(17-5,8-14-2)10(12)16-4/h9H,6-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyDIKKDDNRYICDRF-GXSJLCMTSA-N
MW250.29 g/mol
LogP0.24
Rot. Bonds9

About methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate

methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate (PubChem CID 100958872) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate.

Molecular Properties

Compound Namemethyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate
PubChem CID100958872
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Namemethyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate
SMILESCOC[C@H](C[C@](COC)(OC)C(=O)OC)OC
InChIInChI=1S/C11H22O6/c1-13-7-9(15-3)6-11(17-5,8-14-2)10(12)16-4/h9H,6-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyDIKKDDNRYICDRF-GXSJLCMTSA-N
XLogP0.24
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
5,6-dimethoxyhexan-2-one
CID 89027763
N-(2,3-dimethoxypropyl)-2-hydroxy-2-methylpropanamide
CID 106509940
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
methyl 2,2-difluoro-3-methoxypropanoate
CID 2769543
1,2,5,6-tetramethoxyhexane
CID 18679814
2,3-dimethoxypropyl 2-aminoacetate
CID 163449313
methyl 2-tert-butyl-2-(methoxymethyl)-3,3-dimethylbutanoate
CID 87162780
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,2-dimethoxyethane;1-(2,3-dimethoxypropoxy)-2,3-dimethoxypropane;1,2,3,4-tetramethoxybutane;1,2,3-trimethoxypropane
CID 161451155
2-(2,3-dimethoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 114101634
1,3-bis(2,3-dimethoxypropoxy)-2,2-bis(2,3-dimethoxypropoxymethyl)propane;1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1-(2,3-dimethoxypropoxy)-2,3-dimethoxypropane;1,2,3-trimethoxypropane
CID 162042818

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate?
The IUPAC name of methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate (CID 100958872) is methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate.
What is the SMILES notation for methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate?
The canonical SMILES for methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate is COC[C@H](C[C@](COC)(OC)C(=O)OC)OC.
What is the InChIKey of methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate?
The InChIKey is DIKKDDNRYICDRF-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H22O6/c1-13-7-9(15-3)6-11(17-5,8-14-2)10(12)16-4/h9H,6-8H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate?
methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate has a molecular weight of 250.29 g/mol, XLogP of 0.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2,4,5-trimethoxy-2-(methoxymethyl)pentanoate is sourced from PubChem (CID 100958872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).