2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol

C41H58O8Si2 — CID 134998191

IUPAC2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol
SMILESCC[Si](CC)(CC)OC1C2O[Si](C(C)(C)C)(C(C)(C)C)OCC2OC2(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c32)C1O
InChIInChI=1S/C41H58O8Si2/c1-10-50(11-2,12-3)48-37-36-34(28-46-51(49-36,39(4,5)6)40(7,8)9)47-41(38(37)42)35-31(27-45-41)23-32(43-25-29-19-15-13-16-20-29)24-33(35)44-26-30-21-17-14-18-22-30/h13-24,34,36-38,42H,10-12,25-28H2,1-9H3
InChIKeyRMUKWFWYVGPMSF-UHFFFAOYSA-N
MW735.08 g/mol
LogP9.14
Rot. Bonds11

About 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol

2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol (PubChem CID 134998191) has the molecular formula C41H58O8Si2 and a molecular weight of 735.08 g/mol. Its IUPAC name is 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol.

Molecular Properties

Compound Name2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol
PubChem CID134998191
Molecular FormulaC41H58O8Si2
Molecular Weight735.08 g/mol
Exact Mass734.37
IUPAC Name2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol
SMILESCC[Si](CC)(CC)OC1C2O[Si](C(C)(C)C)(C(C)(C)C)OCC2OC2(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c32)C1O
InChIInChI=1S/C41H58O8Si2/c1-10-50(11-2,12-3)48-37-36-34(28-46-51(49-36,39(4,5)6)40(7,8)9)47-41(38(37)42)35-31(27-45-41)23-32(43-25-29-19-15-13-16-20-29)24-33(35)44-26-30-21-17-14-18-22-30/h13-24,34,36-38,42H,10-12,25-28H2,1-9H3
InChIKeyRMUKWFWYVGPMSF-UHFFFAOYSA-N
XLogP9.14
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.08
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol
CID 153336312
methyl 2-[(4aR,6S,7R,8S,8aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-methyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-yl]acetate
CID 11239609
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
(1R,5R,6R,7S,8S,9S)-3-butyl-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 102036233
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-3-benzoylpyrimidine-2,4-dione
CID 13009885
N-ethyl-2,5-bis(phenylmethoxy)aniline
CID 15565906
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane
CID 11491253
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3,4,5-tris(phenylmethoxy)benzoate
CID 102310963
(2S)-2-[(3-methylsulfonyl-4-phenylmethoxyphenoxy)methyl]oxirane
CID 71361016
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
3,5,7-tris(phenylmethoxy)-2H-chromene
CID 126510429

Frequently Asked Questions

What is the IUPAC name of 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol?
The IUPAC name of 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol (CID 134998191) is 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol.
What is the SMILES notation for 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol?
The canonical SMILES for 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol is CC[Si](CC)(CC)OC1C2O[Si](C(C)(C)C)(C(C)(C)C)OCC2OC2(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c32)C1O.
What is the InChIKey of 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol?
The InChIKey is RMUKWFWYVGPMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58O8Si2/c1-10-50(11-2,12-3)48-37-36-34(28-46-51(49-36,39(4,5)6)40(7,8)9)47-41(38(37)42)35-31(27-45-41)23-32(43-25-29-19-15-13-16-20-29)24-33(35)44-26-30-21-17-14-18-22-30/h13-24,34,36-38,42H,10-12,25-28H2,1-9H3.
What are the key properties of 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol?
2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol has a molecular weight of 735.08 g/mol, XLogP of 9.14, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-ditert-butyl-4,6-bis(phenylmethoxy)-8'-triethylsilyloxyspiro[1H-2-benzofuran-3,6'-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline]-7'-ol is sourced from PubChem (CID 134998191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).