tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane

C54H93ClN2O8Si2 — CID 157125083

IUPACtert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane
SMILESC.CC(C)(C)[Si](C)(C)Cl.CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(O)C1.CC1C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C(C)(C)C)CC(=O)O3)C2C(O)C1.c1c[nH]cn1
InChIInChI=1S/C25H42O4Si.C19H28O4.C6H15ClSi.C3H4N2.CH4/c1-16-12-18-9-8-17(2)21(24(18)22(26)13-16)11-10-19-14-20(15-23(27)28-19)29-30(6,7)25(3,4)5;1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15;1-6(2,3)8(4,5)7;1-2-5-3-4-1;/h8-9,12,16-17,19-22,24,26H,10-11,13-15H2,1-7H3;3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3;1-5H3;1-3H,(H,4,5);1H4
InChIKeyAIKJUBGHVZTCLQ-UHFFFAOYSA-N
MW989.97 g/mol
LogP12.50
Rot. Bonds8

About tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane

tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane (PubChem CID 157125083) has the molecular formula C54H93ClN2O8Si2 and a molecular weight of 989.97 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane
PubChem CID157125083
Molecular FormulaC54H93ClN2O8Si2
Molecular Weight989.97 g/mol
Exact Mass988.62
IUPAC Nametert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane
SMILESC.CC(C)(C)[Si](C)(C)Cl.CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(O)C1.CC1C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C(C)(C)C)CC(=O)O3)C2C(O)C1.c1c[nH]cn1
InChIInChI=1S/C25H42O4Si.C19H28O4.C6H15ClSi.C3H4N2.CH4/c1-16-12-18-9-8-17(2)21(24(18)22(26)13-16)11-10-19-14-20(15-23(27)28-19)29-30(6,7)25(3,4)5;1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15;1-6(2,3)8(4,5)7;1-2-5-3-4-1;/h8-9,12,16-17,19-22,24,26H,10-11,13-15H2,1-7H3;3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3;1-5H3;1-3H,(H,4,5);1H4
InChIKeyAIKJUBGHVZTCLQ-UHFFFAOYSA-N
XLogP12.50
TPSA151.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.97
LogP ≤ 512.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane with MolForge

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Related Compounds

(4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 57015050
(6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 45039440
(4R,6R)-6-[2-[(1S,2S,6S,8R,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 67838141
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 1-methylcyclopentane-1-carboxylate
CID 15670513
[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylpropanoate
CID 22856161
[(1S,3S,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
CID 59767982
8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene-1-carbaldehyde
CID 154513908
(6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-(3,3-dimethylpent-1-en-2-yloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 89186451
[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethoxy-2-methylpropanoate
CID 67730991
[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-methyl-2-propan-2-ylbutanoate
CID 67640408
[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
CID 15223763
[8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
CID 67356438

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane?
The IUPAC name of tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane (CID 157125083) is tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane is C.CC(C)(C)[Si](C)(C)Cl.CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(O)C1.CC1C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C(C)(C)C)CC(=O)O3)C2C(O)C1.c1c[nH]cn1.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane?
The InChIKey is AIKJUBGHVZTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O4Si.C19H28O4.C6H15ClSi.C3H4N2.CH4/c1-16-12-18-9-8-17(2)21(24(18)22(26)13-16)11-10-19-14-20(15-23(27)28-19)29-30(6,7)25(3,4)5;1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15;1-6(2,3)8(4,5)7;1-2-5-3-4-1;/h8-9,12,16-17,19-22,24,26H,10-11,13-15H2,1-7H3;3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3;1-5H3;1-3H,(H,4,5);1H4.
What are the key properties of tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane?
tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane has a molecular weight of 989.97 g/mol, XLogP of 12.50, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;4-[tert-butyl(dimethyl)silyl]oxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one;1H-imidazole;methane is sourced from PubChem (CID 157125083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).