(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane

C24H34O4 — CID 155652812

IUPAC(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCOc1cc2ccccc2cc1[C@H]1C[C@@H](OC(C)(C)C)[C@@H](COC(C)(C)C)O1
InChIInChI=1S/C24H34O4/c1-23(2,3)26-15-22-21(28-24(4,5)6)14-20(27-22)18-12-16-10-8-9-11-17(16)13-19(18)25-7/h8-13,20-22H,14-15H2,1-7H3/t20-,21-,22-/m1/s1
InChIKeyCEYLVROUHPXPEN-YPAWHYETSA-N
MW386.53 g/mol
LogP5.68
Rot. Bonds5

About (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane

(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane (PubChem CID 155652812) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
PubChem CID155652812
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCOc1cc2ccccc2cc1[C@H]1C[C@@H](OC(C)(C)C)[C@@H](COC(C)(C)C)O1
InChIInChI=1S/C24H34O4/c1-23(2,3)26-15-22-21(28-24(4,5)6)14-20(27-22)18-12-16-10-8-9-11-17(16)13-19(18)25-7/h8-13,20-22H,14-15H2,1-7H3/t20-,21-,22-/m1/s1
InChIKeyCEYLVROUHPXPEN-YPAWHYETSA-N
XLogP5.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The IUPAC name of (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane (CID 155652812) is (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The canonical SMILES for (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane is COc1cc2ccccc2cc1[C@H]1C[C@@H](OC(C)(C)C)[C@@H](COC(C)(C)C)O1.
What is the InChIKey of (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The InChIKey is CEYLVROUHPXPEN-YPAWHYETSA-N. The full InChI is InChI=1S/C24H34O4/c1-23(2,3)26-15-22-21(28-24(4,5)6)14-20(27-22)18-12-16-10-8-9-11-17(16)13-19(18)25-7/h8-13,20-22H,14-15H2,1-7H3/t20-,21-,22-/m1/s1.
What are the key properties of (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane?
(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane has a molecular weight of 386.53 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 155652812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).