[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate

C17H24O5 — CID 125485988

IUPAC[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC[C@@H](COCCOCc2ccccc2)O1
InChIInChI=1S/C17H24O5/c1-14(18)21-13-17-8-7-16(22-17)12-20-10-9-19-11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3/t16-,17-/m0/s1
InChIKeyPJLNFRROJLAJOI-IRXDYDNUSA-N
MW308.37 g/mol
LogP2.33
Rot. Bonds9

About [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate

[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate (PubChem CID 125485988) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
PubChem CID125485988
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC[C@@H](COCCOCc2ccccc2)O1
InChIInChI=1S/C17H24O5/c1-14(18)21-13-17-8-7-16(22-17)12-20-10-9-19-11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3/t16-,17-/m0/s1
InChIKeyPJLNFRROJLAJOI-IRXDYDNUSA-N
XLogP2.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 93493280
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
2-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl acetate
CID 71481945
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
[4,5,6-triacetyloxy-5-(phenylmethoxymethyl)oxan-2-yl]methyl acetate
CID 123626996
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate (CID 125485988) is [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@@H]1CC[C@@H](COCCOCc2ccccc2)O1.
What is the InChIKey of [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate?
The InChIKey is PJLNFRROJLAJOI-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H24O5/c1-14(18)21-13-17-8-7-16(22-17)12-20-10-9-19-11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3/t16-,17-/m0/s1.
What are the key properties of [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate?
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate has a molecular weight of 308.37 g/mol, XLogP of 2.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 125485988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).