(1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]

C26H33NO4 — CID 25147186

IUPAC(1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]
SMILESC[C@@H]1CC2(C[C@@H]3[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)CN13)OCCCO2
InChIInChI=1S/C26H33NO4/c1-20-15-26(30-13-8-14-31-26)16-23-25(29-19-22-11-6-3-7-12-22)24(17-27(20)23)28-18-21-9-4-2-5-10-21/h2-7,9-12,20,23-25H,8,13-19H2,1H3/t20-,23-,24-,25-/m1/s1
InChIKeyIRZVOPQRFLYFAT-KMRPREKFSA-N
MW423.55 g/mol
LogP4.16
Rot. Bonds6

About (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]

(1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine] (PubChem CID 25147186) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine].

Molecular Properties

Compound Name(1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]
PubChem CID25147186
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name(1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]
SMILESC[C@@H]1CC2(C[C@@H]3[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)CN13)OCCCO2
InChIInChI=1S/C26H33NO4/c1-20-15-26(30-13-8-14-31-26)16-23-25(29-19-22-11-6-3-7-12-22)24(17-27(20)23)28-18-21-9-4-2-5-10-21/h2-7,9-12,20,23-25H,8,13-19H2,1H3/t20-,23-,24-,25-/m1/s1
InChIKeyIRZVOPQRFLYFAT-KMRPREKFSA-N
XLogP4.16
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine] 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
ethyl 2-[(1'R,5'R,8'aR)-2'-benzyl-5'-methyl-3'-oxospiro[1,3-dioxane-2,7'-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine]-1'-yl]acetate
CID 101441580
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane
CID 134867155
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
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Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]?
The IUPAC name of (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine] (CID 25147186) is (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine].
What is the SMILES notation for (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]?
The canonical SMILES for (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine] is C[C@@H]1CC2(C[C@@H]3[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)CN13)OCCCO2.
What is the InChIKey of (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]?
The InChIKey is IRZVOPQRFLYFAT-KMRPREKFSA-N. The full InChI is InChI=1S/C26H33NO4/c1-20-15-26(30-13-8-14-31-26)16-23-25(29-19-22-11-6-3-7-12-22)24(17-27(20)23)28-18-21-9-4-2-5-10-21/h2-7,9-12,20,23-25H,8,13-19H2,1H3/t20-,23-,24-,25-/m1/s1.
What are the key properties of (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine]?
(1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine] has a molecular weight of 423.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,5'R,8'aR)-5'-methyl-1',2'-bis(phenylmethoxy)spiro[1,3-dioxane-2,7'-2,3,5,6,8,8a-hexahydro-1H-indolizine] is sourced from PubChem (CID 25147186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).