[(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane

C35H70O6Si3 — CID 11354381

IUPAC[(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@]12C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O2
InChIInChI=1S/C35H70O6Si3/c1-19-27-20-28(22-36-42(17,18)32(8,9)10)38-35(27)21-29(40-43(24(2)3,25(4)5)26(6)7)31-30(39-35)23-37-44(41-31,33(11,12)13)34(14,15)16/h19,24-31H,1,20-23H2,2-18H3/t27-,28+,29+,30+,31-,35-/m0/s1
InChIKeyOAGSBUIAWHWWKB-XSOWNIGXSA-N
MW671.20 g/mol
LogP10.10
Rot. Bonds9

About [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane

[(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11354381) has the molecular formula C35H70O6Si3 and a molecular weight of 671.20 g/mol. Its IUPAC name is [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID11354381
Molecular FormulaC35H70O6Si3
Molecular Weight671.20 g/mol
Exact Mass670.45
IUPAC Name[(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@]12C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O2
InChIInChI=1S/C35H70O6Si3/c1-19-27-20-28(22-36-42(17,18)32(8,9)10)38-35(27)21-29(40-43(24(2)3,25(4)5)26(6)7)31-30(39-35)23-37-44(41-31,33(11,12)13)34(14,15)16/h19,24-31H,1,20-23H2,2-18H3/t27-,28+,29+,30+,31-,35-/m0/s1
InChIKeyOAGSBUIAWHWWKB-XSOWNIGXSA-N
XLogP10.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.20
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
CID 71490156
(4S,5S)-5-[(3R)-3-[(2S,3S,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 134846315
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
triethyl-[[(4R,6R,8R,10S,13R)-4-(iodomethyl)-13-methyl-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134878040
tert-butyl-[(2S)-1-[(2R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940113
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115
lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134940941
tert-butyl-[[(4S,6R,8S,10R,13S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-10-prop-2-enyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]-dimethylsilane
CID 135053802
[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-4',6,7,11,12,17,21-heptamethyl-21-[(2R)-pent-4-en-2-yl]spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane
CID 59378809
[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-4',6,7,11,12,17,21-heptamethyl-21-pent-4-en-2-ylspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane
CID 59378811
tert-butyl-dimethyl-[3-[(2R,6S,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propoxy]silane
CID 59456495
tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
CID 89329092

Frequently Asked Questions

What is the IUPAC name of [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane (CID 11354381) is [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane is C=C[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@]12C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O2.
What is the InChIKey of [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is OAGSBUIAWHWWKB-XSOWNIGXSA-N. The full InChI is InChI=1S/C35H70O6Si3/c1-19-27-20-28(22-36-42(17,18)32(8,9)10)38-35(27)21-29(40-43(24(2)3,25(4)5)26(6)7)31-30(39-35)23-37-44(41-31,33(11,12)13)34(14,15)16/h19,24-31H,1,20-23H2,2-18H3/t27-,28+,29+,30+,31-,35-/m0/s1.
What are the key properties of [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane?
[(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 671.20 g/mol, XLogP of 10.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3'R,4aR,5'R,6S,8R,8aR)-2,2-ditert-butyl-5'-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-ethenylspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasiline-6,2'-oxolane]-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11354381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).