[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane

C19H38O2Si2 — CID 71559952

IUPAC[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane
SMILESC[C@H]1CC[C@H]2[C@@H](CC=C(O[Si](C)(C)C)[C@]2(C)CO[Si](C)(C)C)C1
InChIInChI=1S/C19H38O2Si2/c1-15-9-11-17-16(13-15)10-12-18(21-23(6,7)8)19(17,2)14-20-22(3,4)5/h12,15-17H,9-11,13-14H2,1-8H3/t15-,16-,17-,19+/m0/s1
InChIKeySAAWXDCAHIJQRZ-LSTDLKDCSA-N
MW354.68 g/mol
LogP6.04
Rot. Bonds5

About [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane

[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane (PubChem CID 71559952) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane
PubChem CID71559952
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane
SMILESC[C@H]1CC[C@H]2[C@@H](CC=C(O[Si](C)(C)C)[C@]2(C)CO[Si](C)(C)C)C1
InChIInChI=1S/C19H38O2Si2/c1-15-9-11-17-16(13-15)10-12-18(21-23(6,7)8)19(17,2)14-20-22(3,4)5/h12,15-17H,9-11,13-14H2,1-8H3/t15-,16-,17-,19+/m0/s1
InChIKeySAAWXDCAHIJQRZ-LSTDLKDCSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dehydroepiandrosterone, o,o'-bis(trimethylsilyl)-
CID 553969
5-Androsten-3beta-ol-17-one, TMS
CID 13635798
Dhea, tms
CID 91752333
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11427684
(3,4a,8,8-Tetramethyl-3,4,5,6,7,8a-hexahydronaphthalen-1-yl)oxy-trimethylsilane
CID 21748229
[[(4S,4AR,5R,6S,8AR)-4-(3-Butenyl)-3,4A,6-trimethyl-5-(3-methyl-3-butenyl)-1,4,4A,5,6,7,8,8A-octahydro-2-naphthalenyl]oxy](trimethyl)silane
CID 99771691
CID 145780070
CID 145780070
[(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]oxy-trimethylsilane
CID 10945392
2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
CID 11036625
[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11046358
2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane
CID 11122755
[(4aR,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]oxy-trimethylsilane
CID 11737215

Frequently Asked Questions

What is the IUPAC name of [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane?
The IUPAC name of [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane (CID 71559952) is [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane.
What is the SMILES notation for [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane?
The canonical SMILES for [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane is C[C@H]1CC[C@H]2[C@@H](CC=C(O[Si](C)(C)C)[C@]2(C)CO[Si](C)(C)C)C1.
What is the InChIKey of [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane?
The InChIKey is SAAWXDCAHIJQRZ-LSTDLKDCSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-15-9-11-17-16(13-15)10-12-18(21-23(6,7)8)19(17,2)14-20-22(3,4)5/h12,15-17H,9-11,13-14H2,1-8H3/t15-,16-,17-,19+/m0/s1.
What are the key properties of [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane?
[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane is sourced from PubChem (CID 71559952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).