(4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane

C53H79AlCl2O7Si2 — CID 161075347

IUPAC(4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane
SMILESCC1(C)OC2[C@H](O1)[C@@H](O)C[C@@]2(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](O)[C@H]1O.C[Al](C)C.ClCCl
InChIInChI=1S/C26H36O4Si.C23H32O3Si.CH2Cl2.3CH3.Al/c1-24(2,3)31(19-13-9-7-10-14-19,20-15-11-8-12-16-20)28-18-26(6)17-21(27)22-23(26)30-25(4,5)29-22;1-17-18(15-21(24)22(17)25)16-26-27(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;2-1-3;;;;/h7-16,21-23,27H,17-18H2,1-6H3;5-14,17-18,21-22,24-25H,15-16H2,1-4H3;1H2;3*1H3;/t21-,22+,23?,26-;17?,18-,21-,22-;;;;;/m00...../s1
InChIKeyAGJNPAFQYWPVED-DHTQZBJXSA-N
MW982.27 g/mol
LogP9.59
Rot. Bonds10

About (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane

(4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane (PubChem CID 161075347) has the molecular formula C53H79AlCl2O7Si2 and a molecular weight of 982.27 g/mol. Its IUPAC name is (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane.

Molecular Properties

Compound Name(4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane
PubChem CID161075347
Molecular FormulaC53H79AlCl2O7Si2
Molecular Weight982.27 g/mol
Exact Mass980.46
IUPAC Name(4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane
SMILESCC1(C)OC2[C@H](O1)[C@@H](O)C[C@@]2(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](O)[C@H]1O.C[Al](C)C.ClCCl
InChIInChI=1S/C26H36O4Si.C23H32O3Si.CH2Cl2.3CH3.Al/c1-24(2,3)31(19-13-9-7-10-14-19,20-15-11-8-12-16-20)28-18-26(6)17-21(27)22-23(26)30-25(4,5)29-22;1-17-18(15-21(24)22(17)25)16-26-27(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;2-1-3;;;;/h7-16,21-23,27H,17-18H2,1-6H3;5-14,17-18,21-22,24-25H,15-16H2,1-4H3;1H2;3*1H3;/t21-,22+,23?,26-;17?,18-,21-,22-;;;;;/m00...../s1
InChIKeyAGJNPAFQYWPVED-DHTQZBJXSA-N
XLogP9.59
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.27
LogP ≤ 59.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane with MolForge

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Related Compounds

[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 15674842
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 101444428
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
(3aS,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-ol
CID 11259272
(1S,2S,3R,5S,6R)-3,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-ol
CID 101191463

Frequently Asked Questions

What is the IUPAC name of (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane?
The IUPAC name of (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane (CID 161075347) is (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane.
What is the SMILES notation for (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane?
The canonical SMILES for (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane is CC1(C)OC2[C@H](O1)[C@@H](O)C[C@@]2(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](O)[C@H]1O.C[Al](C)C.ClCCl.
What is the InChIKey of (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane?
The InChIKey is AGJNPAFQYWPVED-DHTQZBJXSA-N. The full InChI is InChI=1S/C26H36O4Si.C23H32O3Si.CH2Cl2.3CH3.Al/c1-24(2,3)31(19-13-9-7-10-14-19,20-15-11-8-12-16-20)28-18-26(6)17-21(27)22-23(26)30-25(4,5)29-22;1-17-18(15-21(24)22(17)25)16-26-27(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;2-1-3;;;;/h7-16,21-23,27H,17-18H2,1-6H3;5-14,17-18,21-22,24-25H,15-16H2,1-4H3;1H2;3*1H3;/t21-,22+,23?,26-;17?,18-,21-,22-;;;;;/m00...../s1.
What are the key properties of (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane?
(4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane has a molecular weight of 982.27 g/mol, XLogP of 9.59, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol;(1S,2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylcyclopentane-1,2-diol;dichloromethane;trimethylalumane is sourced from PubChem (CID 161075347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).