2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

C42H48O7 — CID 134389559

IUPAC2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCC1(C)OC(CCOC2OC(COCc3ccccc3)C(OCc3ccccc3)=CC2OCc2ccccc2)[C@@H](CCc2ccccc2)O1
InChIInChI=1S/C42H48O7/c1-42(2)48-36(24-23-32-15-7-3-8-16-32)37(49-42)25-26-44-41-39(46-30-35-21-13-6-14-22-35)27-38(45-29-34-19-11-5-12-20-34)40(47-41)31-43-28-33-17-9-4-10-18-33/h3-22,27,36-37,39-41H,23-26,28-31H2,1-2H3/t36-,37?,39?,40?,41?/m1/s1
InChIKeyGTOAFTAFZKDBKR-WYKPGTAUSA-N
MW664.84 g/mol
LogP8.17
Rot. Bonds17

About 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 134389559) has the molecular formula C42H48O7 and a molecular weight of 664.84 g/mol. Its IUPAC name is 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID134389559
Molecular FormulaC42H48O7
Molecular Weight664.84 g/mol
Exact Mass664.34
IUPAC Name2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCC1(C)OC(CCOC2OC(COCc3ccccc3)C(OCc3ccccc3)=CC2OCc2ccccc2)[C@@H](CCc2ccccc2)O1
InChIInChI=1S/C42H48O7/c1-42(2)48-36(24-23-32-15-7-3-8-16-32)37(49-42)25-26-44-41-39(46-30-35-21-13-6-14-22-35)27-38(45-29-34-19-11-5-12-20-34)40(47-41)31-43-28-33-17-9-4-10-18-33/h3-22,27,36-37,39-41H,23-26,28-31H2,1-2H3/t36-,37?,39?,40?,41?/m1/s1
InChIKeyGTOAFTAFZKDBKR-WYKPGTAUSA-N
XLogP8.17
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.84
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran with MolForge

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Related Compounds

3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[2-[(5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethoxy]oxane
CID 134389486
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
tert-butyl-[[(2S,3S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-3,6-dihydro-2H-pyran-6-yl]methoxy]-diphenylsilane
CID 10984826
(1S,2R,6R,8R,9S)-8-[2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 10818227
(3S,4R,5R)-2-(2-phenylethoxy)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102030658
(3aS,5R,6S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 59426783
(4R,5R)-4-heptyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 56594681
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(3-phenylpropoxy)oxolane
CID 10951628
(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
(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 22887291
(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 11224624

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (CID 134389559) is 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is CC1(C)OC(CCOC2OC(COCc3ccccc3)C(OCc3ccccc3)=CC2OCc2ccccc2)[C@@H](CCc2ccccc2)O1.
What is the InChIKey of 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is GTOAFTAFZKDBKR-WYKPGTAUSA-N. The full InChI is InChI=1S/C42H48O7/c1-42(2)48-36(24-23-32-15-7-3-8-16-32)37(49-42)25-26-44-41-39(46-30-35-21-13-6-14-22-35)27-38(45-29-34-19-11-5-12-20-34)40(47-41)31-43-28-33-17-9-4-10-18-33/h3-22,27,36-37,39-41H,23-26,28-31H2,1-2H3/t36-,37?,39?,40?,41?/m1/s1.
What are the key properties of 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 664.84 g/mol, XLogP of 8.17, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134389559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).