methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate

C10H20O6 — CID 14201885

IUPACmethyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate
SMILESCOCCOCO[C@@H](C)[C@@H](O)CC(=O)OC
InChIInChI=1S/C10H20O6/c1-8(9(11)6-10(12)14-3)16-7-15-5-4-13-2/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyJFNMDYFNMHFTDV-IUCAKERBSA-N
MW236.26 g/mol
LogP-0.06
Rot. Bonds9

About methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate

methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate (PubChem CID 14201885) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate.

Molecular Properties

Compound Namemethyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate
PubChem CID14201885
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Namemethyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate
SMILESCOCCOCO[C@@H](C)[C@@H](O)CC(=O)OC
InChIInChI=1S/C10H20O6/c1-8(9(11)6-10(12)14-3)16-7-15-5-4-13-2/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyJFNMDYFNMHFTDV-IUCAKERBSA-N
XLogP-0.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
dimethyl (2R,3S)-2,3-dihydroxypentanedioate
CID 10943312
methyl 5-hydroxy-6-methyl-3-oxoheptanoate
CID 11171452
dimethyl (2S,3R)-2,3-dihydroxypentanedioate
CID 132966642
methyl 3-hydroxy-4-methylheptanoate
CID 14280456
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 3,4-dimethylpentanoate
CID 554058

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate?
The IUPAC name of methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate (CID 14201885) is methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate.
What is the SMILES notation for methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate?
The canonical SMILES for methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate is COCCOCO[C@@H](C)[C@@H](O)CC(=O)OC.
What is the InChIKey of methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate?
The InChIKey is JFNMDYFNMHFTDV-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20O6/c1-8(9(11)6-10(12)14-3)16-7-15-5-4-13-2/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate?
methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate has a molecular weight of 236.26 g/mol, XLogP of -0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate is sourced from PubChem (CID 14201885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).