(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane

C35H36O6 — CID 10626542

IUPAC(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane
SMILESc1ccc(COC2[C@H]3OCO[C@@H]2[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]3OCc2ccccc2)cc1
InChIInChI=1S/C35H36O6/c1-5-13-26(14-6-1)21-36-30-31(37-22-27-15-7-2-8-16-27)34-33(39-24-29-19-11-4-12-20-29)35(41-25-40-34)32(30)38-23-28-17-9-3-10-18-28/h1-20,30-35H,21-25H2/t30?,31-,32+,33?,34+,35-
InChIKeyWEWVKRJBMCLWBF-UIYOSASFSA-N
MW552.67 g/mol
LogP6.08
Rot. Bonds12

About (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane

(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane (PubChem CID 10626542) has the molecular formula C35H36O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane
PubChem CID10626542
Molecular FormulaC35H36O6
Molecular Weight552.67 g/mol
Exact Mass552.25
IUPAC Name(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane
SMILESc1ccc(COC2[C@H]3OCO[C@@H]2[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]3OCc2ccccc2)cc1
InChIInChI=1S/C35H36O6/c1-5-13-26(14-6-1)21-36-30-31(37-22-27-15-7-2-8-16-27)34-33(39-24-29-19-11-4-12-20-29)35(41-25-40-34)32(30)38-23-28-17-9-3-10-18-28/h1-20,30-35H,21-25H2/t30?,31-,32+,33?,34+,35-
InChIKeyWEWVKRJBMCLWBF-UIYOSASFSA-N
XLogP6.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane with MolForge

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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
CID 10947855
(1R,2R,3S,4S,5R,6R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 137325219
(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 101371356
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
2-phenylmethoxyoxetane
CID 23030739

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane (CID 10626542) is (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane is c1ccc(COC2[C@H]3OCO[C@@H]2[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]3OCc2ccccc2)cc1.
What is the InChIKey of (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane?
The InChIKey is WEWVKRJBMCLWBF-UIYOSASFSA-N. The full InChI is InChI=1S/C35H36O6/c1-5-13-26(14-6-1)21-36-30-31(37-22-27-15-7-2-8-16-27)34-33(39-24-29-19-11-4-12-20-29)35(41-25-40-34)32(30)38-23-28-17-9-3-10-18-28/h1-20,30-35H,21-25H2/t30?,31-,32+,33?,34+,35-.
What are the key properties of (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane?
(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane has a molecular weight of 552.67 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane is sourced from PubChem (CID 10626542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).