[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane

C17H32O2Si — CID 142714662

IUPAC[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1C[C@H]2CC=CC[C@H]2[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-17(2,3)20(5,6)19-12-15-14-10-8-7-9-13(14)11-16(15)18-4/h7-8,13-16H,9-12H2,1-6H3/t13-,14-,15-,16+/m1/s1
InChIKeyJDAHHCPZJULXHP-FPCVCCKLSA-N
MW296.53 g/mol
LogP4.63
Rot. Bonds4

About [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 142714662) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID142714662
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1C[C@H]2CC=CC[C@H]2[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-17(2,3)20(5,6)19-12-15-14-10-8-7-9-13(14)11-16(15)18-4/h7-8,13-16H,9-12H2,1-6H3/t13-,14-,15-,16+/m1/s1
InChIKeyJDAHHCPZJULXHP-FPCVCCKLSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.63
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,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
CID 11133057
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073
[(1S,3S)-5-(cyclohexen-1-yl)-3-methoxy-2,2-dimethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253915
[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253916
((2-(7-Methoxyheptyl)-3-(3-methyl-2-butenyl)-4-[(trimethylsilyl)oxy]cyclopentyl)oxy)(trimethyl)silane
CID 603386
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane (CID 142714662) is [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane is CO[C@H]1C[C@H]2CC=CC[C@H]2[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is JDAHHCPZJULXHP-FPCVCCKLSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-17(2,3)20(5,6)19-12-15-14-10-8-7-9-13(14)11-16(15)18-4/h7-8,13-16H,9-12H2,1-6H3/t13-,14-,15-,16+/m1/s1.
What are the key properties of [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 142714662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).