[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane

C27H50O2Si — CID 146166913

IUPAC[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane
SMILESCO[C@@H]1C=C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@]21C
InChIInChI=1S/C27H50O2Si/c1-18(2)30(19(3)4,20(5)6)29-23-15-17-26(9)21(25(23,7)8)14-16-27(10)22(26)12-13-24(27)28-11/h12-13,18-24H,14-17H2,1-11H3/t21-,22-,23-,24+,26-,27-/m0/s1
InChIKeySHGZEPOGBMDJTP-YNHSGCSHSA-N
MW434.78 g/mol
LogP7.99
Rot. Bonds6

About [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane

[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane (PubChem CID 146166913) has the molecular formula C27H50O2Si and a molecular weight of 434.78 g/mol. Its IUPAC name is [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane
PubChem CID146166913
Molecular FormulaC27H50O2Si
Molecular Weight434.78 g/mol
Exact Mass434.36
IUPAC Name[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane
SMILESCO[C@@H]1C=C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@]21C
InChIInChI=1S/C27H50O2Si/c1-18(2)30(19(3)4,20(5)6)29-23-15-17-26(9)21(25(23,7)8)14-16-27(10)22(26)12-13-24(27)28-11/h12-13,18-24H,14-17H2,1-11H3/t21-,22-,23-,24+,26-,27-/m0/s1
InChIKeySHGZEPOGBMDJTP-YNHSGCSHSA-N
XLogP7.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 57.99
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 [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

3-[(1S,2R,4aR,8aR)-1,4a-dimethyl-6-(tributylstannylmethoxymethyl)-2-triethylsilyloxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]propoxy-tert-butyl-dimethylsilane
CID 11228144
Drostanolone metabolite, di-trimethylsilyl
CID 14863121
5alpha-Androst-16-en-3beta-ol trimethylsilyl ether
CID 91697345
19-norandrosterone di-TMS
CID 91746952
trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane
CID 134997545
tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane
CID 146019012
tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane
CID 146020461
[(2S)-5a,9b-dimethyl-2-(2-methylprop-1-enyl)-7-triethylsilyloxy-1,2,3a,4,5,6,7,8,9,9a-decahydrobenzo[e][1]benzofuran-6-yl]methanol
CID 162402328
[(3R,4aS,6aR,10aR,10bS)-2-iodo-4a,7,7,10a-tetramethyl-3,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-3-yl]methoxy-tert-butyl-dimethylsilane
CID 166445274
tert-butyl-[[(3S,8R,9S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 90662652
tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 6711345
5-alpha,16-Androsten-3-alpha-ol, TMS
CID 6427201

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane (CID 146166913) is [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane is CO[C@@H]1C=C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@]21C.
What is the InChIKey of [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SHGZEPOGBMDJTP-YNHSGCSHSA-N. The full InChI is InChI=1S/C27H50O2Si/c1-18(2)30(19(3)4,20(5)6)29-23-15-17-26(9)21(25(23,7)8)14-16-27(10)22(26)12-13-24(27)28-11/h12-13,18-24H,14-17H2,1-11H3/t21-,22-,23-,24+,26-,27-/m0/s1.
What are the key properties of [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane?
[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 434.78 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 146166913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).