methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate

C18H26O4 — CID 10542708

IUPACmethyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@@H]1CC[C@H](C[C@@H](C)OCc2ccccc2)O1
InChIInChI=1S/C18H26O4/c1-13(21-12-15-7-5-4-6-8-15)11-16-9-10-17(22-16)14(2)18(19)20-3/h4-8,13-14,16-17H,9-12H2,1-3H3/t13-,14+,16-,17+/m1/s1
InChIKeyAQAAZJWOMAZEHE-WTTBNOFXSA-N
MW306.40 g/mol
LogP3.34
Rot. Bonds7

About methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate

methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate (PubChem CID 10542708) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate
PubChem CID10542708
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Namemethyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@@H]1CC[C@H](C[C@@H](C)OCc2ccccc2)O1
InChIInChI=1S/C18H26O4/c1-13(21-12-15-7-5-4-6-8-15)11-16-9-10-17(22-16)14(2)18(19)20-3/h4-8,13-14,16-17H,9-12H2,1-3H3/t13-,14+,16-,17+/m1/s1
InChIKeyAQAAZJWOMAZEHE-WTTBNOFXSA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Ethyl 3-methyl-3-phenylglycidate
CID 6501
Benzyl hexanoate
CID 23367
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzyl laurate
CID 8791
1-Phenylpropyl butyrate
CID 61447
Ethyl 3-methyl-3-(p-tolyl)glycidate
CID 5362581
Benzyl octanoate
CID 82511
Benzyl caprate
CID 562246
METHYL beta-PHENYLGLYCIDATE
CID 86834
Benzyloctyl adipate
CID 94037

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate (CID 10542708) is methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate is COC(=O)[C@@H](C)[C@@H]1CC[C@H](C[C@@H](C)OCc2ccccc2)O1.
What is the InChIKey of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate?
The InChIKey is AQAAZJWOMAZEHE-WTTBNOFXSA-N. The full InChI is InChI=1S/C18H26O4/c1-13(21-12-15-7-5-4-6-8-15)11-16-9-10-17(22-16)14(2)18(19)20-3/h4-8,13-14,16-17H,9-12H2,1-3H3/t13-,14+,16-,17+/m1/s1.
What are the key properties of methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate?
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate has a molecular weight of 306.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate is sourced from PubChem (CID 10542708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).