5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole

C20H20O3 — CID 11392680

IUPAC5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole
SMILESC=C[C@H]1[C@H](Cc2ccccc2)CO[C@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C20H20O3/c1-2-17-16(10-14-6-4-3-5-7-14)12-21-20(17)15-8-9-18-19(11-15)23-13-22-18/h2-9,11,16-17,20H,1,10,12-13H2/t16-,17+,20+/m1/s1
InChIKeyMRWIKAUEWPWOGL-UWVAXJGDSA-N
MW308.38 g/mol
LogP4.15
Rot. Bonds4

About 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole

5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole (PubChem CID 11392680) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole
PubChem CID11392680
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole
SMILESC=C[C@H]1[C@H](Cc2ccccc2)CO[C@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C20H20O3/c1-2-17-16(10-14-6-4-3-5-7-14)12-21-20(17)15-8-9-18-19(11-15)23-13-22-18/h2-9,11,16-17,20H,1,10,12-13H2/t16-,17+,20+/m1/s1
InChIKeyMRWIKAUEWPWOGL-UWVAXJGDSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3R,6R)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CID 101066122
(4-ethenyl-5-phenyloxolan-3-yl)methanol
CID 101456903
5-[[(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-2-methoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 59800034
[(2S,3R,4R)-2-(1,3-benzodioxol-5-yl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl acetate
CID 77050709
(3S,3aS,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-ol
CID 10988689
3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid
CID 10976678
(1S,2R,3R,6R,10R)-2-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-10-prop-2-enyl-5-oxatricyclo[4.3.1.03,10]dec-7-en-9-one
CID 163092297
4-[(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
CID 70695728
5-[(1R,2S,5R,6S,9S)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-1,3-benzodioxole
CID 11873078
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080
3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
(3S,3aS,4R,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol
CID 162932623

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole?
The IUPAC name of 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole (CID 11392680) is 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole?
The canonical SMILES for 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole is C=C[C@H]1[C@H](Cc2ccccc2)CO[C@H]1c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole?
The InChIKey is MRWIKAUEWPWOGL-UWVAXJGDSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-17-16(10-14-6-4-3-5-7-14)12-21-20(17)15-8-9-18-19(11-15)23-13-22-18/h2-9,11,16-17,20H,1,10,12-13H2/t16-,17+,20+/m1/s1.
What are the key properties of 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole?
5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole has a molecular weight of 308.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S,4S)-4-benzyl-3-ethenyloxolan-2-yl]-1,3-benzodioxole is sourced from PubChem (CID 11392680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).