(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene

C37H38O6 — CID 134833756

IUPAC(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene
SMILESC1=CO[C@@]2(C1)OC(COCc1ccccc1)[C@@H](OCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1
InChIInChI=1S/C37H38O6/c1-5-14-29(15-6-1)24-38-28-33-34(39-25-30-16-7-2-8-17-30)35(40-26-31-18-9-3-10-19-31)36(37(43-33)22-13-23-42-37)41-27-32-20-11-4-12-21-32/h1-21,23,33-36H,22,24-28H2/t33?,34-,35?,36?,37+/m1/s1
InChIKeyXVJRLRPQLMAKNO-GBRCWNMWSA-N
MW578.71 g/mol
LogP6.99
Rot. Bonds13

About (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene

(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene (PubChem CID 134833756) has the molecular formula C37H38O6 and a molecular weight of 578.71 g/mol. Its IUPAC name is (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene
PubChem CID134833756
Molecular FormulaC37H38O6
Molecular Weight578.71 g/mol
Exact Mass578.27
IUPAC Name(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene
SMILESC1=CO[C@@]2(C1)OC(COCc1ccccc1)[C@@H](OCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1
InChIInChI=1S/C37H38O6/c1-5-14-29(15-6-1)24-38-28-33-34(39-25-30-16-7-2-8-17-30)35(40-26-31-18-9-3-10-19-31)36(37(43-33)22-13-23-42-37)41-27-32-20-11-4-12-21-32/h1-21,23,33-36H,22,24-28H2/t33?,34-,35?,36?,37+/m1/s1
InChIKeyXVJRLRPQLMAKNO-GBRCWNMWSA-N
XLogP6.99
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S,3R,4R,6S,9S,10S,11S,12R,13R)-1,2,3,10,11,12-hexakis(phenylmethoxy)-4,13-bis(phenylmethoxymethyl)-5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 101140893
(1S,2R,3R,5S,8S,9S,10R,11S)-1,2,9,10-tetrakis(phenylmethoxy)-3,11-bis(phenylmethoxymethyl)-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane
CID 102255376
(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene
CID 135069642
(2S,3S,4R,5S,6R,8S)-8,9,9-trimethyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 122383294
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(2S,3R,4S,5S,6R)-2-ethenyl-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122227332
2,2-dimethyl-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,3,6-trioxaspiro[4.4]nonane
CID 139595404
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071
(3R,4S,5R,6R)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 101091855
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene?
The IUPAC name of (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene (CID 134833756) is (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene.
What is the SMILES notation for (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene?
The canonical SMILES for (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene is C1=CO[C@@]2(C1)OC(COCc1ccccc1)[C@@H](OCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1.
What is the InChIKey of (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene?
The InChIKey is XVJRLRPQLMAKNO-GBRCWNMWSA-N. The full InChI is InChI=1S/C37H38O6/c1-5-14-29(15-6-1)24-38-28-33-34(39-25-30-16-7-2-8-17-30)35(40-26-31-18-9-3-10-19-31)36(37(43-33)22-13-23-42-37)41-27-32-20-11-4-12-21-32/h1-21,23,33-36H,22,24-28H2/t33?,34-,35?,36?,37+/m1/s1.
What are the key properties of (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene?
(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene has a molecular weight of 578.71 g/mol, XLogP of 6.99, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134833756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).