(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one

C16H20O5 — CID 134352834

IUPAC(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one
SMILESC=C[C@@]1(C)C(=O)O[C@H](COCc2ccc(OC)cc2)[C@H]1O
InChIInChI=1S/C16H20O5/c1-4-16(2)14(17)13(21-15(16)18)10-20-9-11-5-7-12(19-3)8-6-11/h4-8,13-14,17H,1,9-10H2,2-3H3/t13-,14-,16-/m1/s1
InChIKeySUWVIPQVMIZJSH-IIAWOOMASA-N
MW292.33 g/mol
LogP1.69
Rot. Bonds6

About (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one

(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one (PubChem CID 134352834) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one
PubChem CID134352834
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one
SMILESC=C[C@@]1(C)C(=O)O[C@H](COCc2ccc(OC)cc2)[C@H]1O
InChIInChI=1S/C16H20O5/c1-4-16(2)14(17)13(21-15(16)18)10-20-9-11-5-7-12(19-3)8-6-11/h4-8,13-14,17H,1,9-10H2,2-3H3/t13-,14-,16-/m1/s1
InChIKeySUWVIPQVMIZJSH-IIAWOOMASA-N
XLogP1.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
(4R,5S)-5-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10085046
6-[(4-methoxyphenyl)methoxymethyl]-4-prop-2-enoxyoxane-2,3,5-triol
CID 171126360
(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 169299268
(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
2-[6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 72756651
1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene
CID 101026264
(3aR,4R,6R,6aR)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-2'-sulfanylidenespiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-4'-one
CID 101145891
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
CID 102300419
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one?
The IUPAC name of (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one (CID 134352834) is (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one?
The canonical SMILES for (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one is C=C[C@@]1(C)C(=O)O[C@H](COCc2ccc(OC)cc2)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one?
The InChIKey is SUWVIPQVMIZJSH-IIAWOOMASA-N. The full InChI is InChI=1S/C16H20O5/c1-4-16(2)14(17)13(21-15(16)18)10-20-9-11-5-7-12(19-3)8-6-11/h4-8,13-14,17H,1,9-10H2,2-3H3/t13-,14-,16-/m1/s1.
What are the key properties of (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one?
(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one has a molecular weight of 292.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one is sourced from PubChem (CID 134352834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).