[(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane

C41H64O2Si2 — CID 10770464

IUPAC[(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESC[C@@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]21C
InChIInChI=1S/C41H64O2Si2/c1-30-31(29-42-45(39(5,6)7,32-19-15-13-16-20-32)33-21-17-14-18-22-33)23-25-35-34(30)24-26-36-40(8,9)37(27-28-41(35,36)10)43-44(11,12)38(2,3)4/h13-23,25,30-31,34-37H,24,26-29H2,1-12H3/t30-,31?,34-,35-,36-,37-,41+/m1/s1
InChIKeyZYXDCNVPZMCOEU-HJCRVQBPSA-N
MW645.13 g/mol
LogP10.24
Rot. Bonds7

About [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane

[(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10770464) has the molecular formula C41H64O2Si2 and a molecular weight of 645.13 g/mol. Its IUPAC name is [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10770464
Molecular FormulaC41H64O2Si2
Molecular Weight645.13 g/mol
Exact Mass644.44
IUPAC Name[(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESC[C@@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]21C
InChIInChI=1S/C41H64O2Si2/c1-30-31(29-42-45(39(5,6)7,32-19-15-13-16-20-32)33-21-17-14-18-22-33)23-25-35-34(30)24-26-36-40(8,9)37(27-28-41(35,36)10)43-44(11,12)38(2,3)4/h13-23,25,30-31,34-37H,24,26-29H2,1-12H3/t30-,31?,34-,35-,36-,37-,41+/m1/s1
InChIKeyZYXDCNVPZMCOEU-HJCRVQBPSA-N
XLogP10.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.13
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
[(1S,2S,4aR,6S,8aR)-1-[2-(benzenesulfonyl)ethyl]-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
CID 56958713
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
(1S,2S,5R,6S)-5,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohex-3-en-1-ol
CID 11308251
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
tert-butyl-[[(2R,3S,8R,9S)-8-but-2-ynyl-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 135055431
(1R,2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 10675685
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165

Frequently Asked Questions

What is the IUPAC name of [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane (CID 10770464) is [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane is C[C@@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]21C.
What is the InChIKey of [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is ZYXDCNVPZMCOEU-HJCRVQBPSA-N. The full InChI is InChI=1S/C41H64O2Si2/c1-30-31(29-42-45(39(5,6)7,32-19-15-13-16-20-32)33-21-17-14-18-22-33)23-25-35-34(30)24-26-36-40(8,9)37(27-28-41(35,36)10)43-44(11,12)38(2,3)4/h13-23,25,30-31,34-37H,24,26-29H2,1-12H3/t30-,31?,34-,35-,36-,37-,41+/m1/s1.
What are the key properties of [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane?
[(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 645.13 g/mol, XLogP of 10.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aR,4bS,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,4b,8,8-tetramethyl-1,2,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10770464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).