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

C30H32O6 — CID 135069642

IUPAC(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene
SMILESCO[C@@H]1O[C@@]2(CC=CO2)C(OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H32O6/c1-31-29-27(33-21-24-14-7-3-8-15-24)26(32-20-23-12-5-2-6-13-23)28(30(36-29)18-11-19-35-30)34-22-25-16-9-4-10-17-25/h2-17,19,26-29H,18,20-22H2,1H3/t26?,27-,28?,29-,30+/m1/s1
InChIKeyJGVAHWYMJVPPBN-BUJATHQBSA-N
MW488.58 g/mol
LogP5.38
Rot. Bonds10

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

(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene (PubChem CID 135069642) has the molecular formula C30H32O6 and a molecular weight of 488.58 g/mol. Its IUPAC name is (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene
PubChem CID135069642
Molecular FormulaC30H32O6
Molecular Weight488.58 g/mol
Exact Mass488.22
IUPAC Name(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene
SMILESCO[C@@H]1O[C@@]2(CC=CO2)C(OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H32O6/c1-31-29-27(33-21-24-14-7-3-8-15-24)26(32-20-23-12-5-2-6-13-23)28(30(36-29)18-11-19-35-30)34-22-25-16-9-4-10-17-25/h2-17,19,26-29H,18,20-22H2,1H3/t26?,27-,28?,29-,30+/m1/s1
InChIKeyJGVAHWYMJVPPBN-BUJATHQBSA-N
XLogP5.38
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene
CID 134833756
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 134832275
(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
CID 10886007
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(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 (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene?
The IUPAC name of (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene (CID 135069642) is (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene.
What is the SMILES notation for (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene?
The canonical SMILES for (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene is CO[C@@H]1O[C@@]2(CC=CO2)C(OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene?
The InChIKey is JGVAHWYMJVPPBN-BUJATHQBSA-N. The full InChI is InChI=1S/C30H32O6/c1-31-29-27(33-21-24-14-7-3-8-15-24)26(32-20-23-12-5-2-6-13-23)28(30(36-29)18-11-19-35-30)34-22-25-16-9-4-10-17-25/h2-17,19,26-29H,18,20-22H2,1H3/t26?,27-,28?,29-,30+/m1/s1.
What are the key properties of (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene?
(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene has a molecular weight of 488.58 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene is sourced from PubChem (CID 135069642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).