(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane

C18H24O5 — CID 53467505

IUPAC(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane
SMILESC#CCO[C@H]1[C@H](OC)O[C@@H](CC)[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C18H24O5/c1-5-11-21-17-16(15(6-2)23-18(17)20-4)22-12-13-7-9-14(19-3)10-8-13/h1,7-10,15-18H,6,11-12H2,2-4H3/t15-,16-,17+,18+/m0/s1
InChIKeyLLPMBEFTVTXTHT-WNRNVDISSA-N
MW320.38 g/mol
LogP2.38
Rot. Bonds8

About (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane

(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane (PubChem CID 53467505) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane
PubChem CID53467505
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane
SMILESC#CCO[C@H]1[C@H](OC)O[C@@H](CC)[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C18H24O5/c1-5-11-21-17-16(15(6-2)23-18(17)20-4)22-12-13-7-9-14(19-3)10-8-13/h1,7-10,15-18H,6,11-12H2,2-4H3/t15-,16-,17+,18+/m0/s1
InChIKeyLLPMBEFTVTXTHT-WNRNVDISSA-N
XLogP2.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane with MolForge

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Related Compounds

(2S,3R,4S,5R,6R)-2-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-6-prop-2-ynyloxane
CID 11249104
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
CID 69040178
(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-3-[(2S,3S,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-4-phenylmethoxyoxolane
CID 46895701
[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(prop-2-ynoxy)oxan-2-yl]methanol
CID 156689108
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 100969790
(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
CID 100962299

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane?
The IUPAC name of (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane (CID 53467505) is (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane.
What is the SMILES notation for (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane?
The canonical SMILES for (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane is C#CCO[C@H]1[C@H](OC)O[C@@H](CC)[C@@H]1OCc1ccc(OC)cc1.
What is the InChIKey of (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane?
The InChIKey is LLPMBEFTVTXTHT-WNRNVDISSA-N. The full InChI is InChI=1S/C18H24O5/c1-5-11-21-17-16(15(6-2)23-18(17)20-4)22-12-13-7-9-14(19-3)10-8-13/h1,7-10,15-18H,6,11-12H2,2-4H3/t15-,16-,17+,18+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane?
(2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane has a molecular weight of 320.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-ethyl-5-methoxy-3-[(4-methoxyphenyl)methoxy]-4-prop-2-ynoxyoxolane is sourced from PubChem (CID 53467505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).