3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane

C42H50O8 — CID 134389486

IUPAC3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane
SMILESC[C@H]1OC(C)(C)OC1CCOC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C42H50O8/c1-31-36(50-42(2,3)49-31)24-25-44-41-40(47-29-35-22-14-7-15-23-35)39(46-28-34-20-12-6-13-21-34)38(45-27-33-18-10-5-11-19-33)37(48-41)30-43-26-32-16-8-4-9-17-32/h4-23,31,36-41H,24-30H2,1-3H3/t31-,36?,37?,38?,39?,40?,41?/m1/s1
InChIKeyDUVOLVMIGFTBKW-UUJIZYTKSA-N
MW682.85 g/mol
LogP7.63
Rot. Bonds17

About 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane

3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane (PubChem CID 134389486) has the molecular formula C42H50O8 and a molecular weight of 682.85 g/mol. Its IUPAC name is 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane.

Molecular Properties

Compound Name3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane
PubChem CID134389486
Molecular FormulaC42H50O8
Molecular Weight682.85 g/mol
Exact Mass682.35
IUPAC Name3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane
SMILESC[C@H]1OC(C)(C)OC1CCOC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C42H50O8/c1-31-36(50-42(2,3)49-31)24-25-44-41-40(47-29-35-22-14-7-15-23-35)39(46-28-34-20-12-6-13-21-34)38(45-27-33-18-10-5-11-19-33)37(48-41)30-43-26-32-16-8-4-9-17-32/h4-23,31,36-41H,24-30H2,1-3H3/t31-,36?,37?,38?,39?,40?,41?/m1/s1
InChIKeyDUVOLVMIGFTBKW-UUJIZYTKSA-N
XLogP7.63
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 146032483
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(3S,4R,5R)-2-(2-phenylethoxy)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102030658
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-[[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11104722
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11093967
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane?
The IUPAC name of 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane (CID 134389486) is 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane.
What is the SMILES notation for 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane?
The canonical SMILES for 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane is C[C@H]1OC(C)(C)OC1CCOC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane?
The InChIKey is DUVOLVMIGFTBKW-UUJIZYTKSA-N. The full InChI is InChI=1S/C42H50O8/c1-31-36(50-42(2,3)49-31)24-25-44-41-40(47-29-35-22-14-7-15-23-35)39(46-28-34-20-12-6-13-21-34)38(45-27-33-18-10-5-11-19-33)37(48-41)30-43-26-32-16-8-4-9-17-32/h4-23,31,36-41H,24-30H2,1-3H3/t31-,36?,37?,38?,39?,40?,41?/m1/s1.
What are the key properties of 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane?
3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane has a molecular weight of 682.85 g/mol, XLogP of 7.63, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane is sourced from PubChem (CID 134389486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).