[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane

C17H32O2Si — CID 10085953

IUPAC[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane
SMILESCC(C)(C)O[C@H]1CC[C@@H]2C=C(O[Si](C)(C)C)CC[C@]12C
InChIInChI=1S/C17H32O2Si/c1-16(2,3)18-15-9-8-13-12-14(19-20(5,6)7)10-11-17(13,15)4/h12-13,15H,8-11H2,1-7H3/t13-,15+,17+/m1/s1
InChIKeyUQBJZAFRLCWNIV-KMFMINBZSA-N
MW296.53 g/mol
LogP5.12
Rot. Bonds3

About [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane

[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane (PubChem CID 10085953) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane
PubChem CID10085953
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane
SMILESCC(C)(C)O[C@H]1CC[C@@H]2C=C(O[Si](C)(C)C)CC[C@]12C
InChIInChI=1S/C17H32O2Si/c1-16(2,3)18-15-9-8-13-12-14(19-20(5,6)7)10-11-17(13,15)4/h12-13,15H,8-11H2,1-7H3/t13-,15+,17+/m1/s1
InChIKeyUQBJZAFRLCWNIV-KMFMINBZSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyldimethyl(((1S,3aR,7aS)-7a-methyl-5-((triethylsilyl)oxy)-4-vinyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl)oxy)silane
CID 46238476
[(3aR,7aS)-4-ethenyl-5-methoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 173725767
[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,4,7-hexahydroinden-5-yl]oxy-trimethylsilane
CID 9971826
tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane
CID 11068900
tert-butyl-dimethyl-[[(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]silane
CID 11122072
tert-butyl-dimethyl-[[(1S,3S,5S,6S,9S,10S)-6-methyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]silane
CID 23230061
[(3S,3aS,9bS)-7-methoxy-3a-methyl-1,2,3,4,5,6,9,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 53243989
tert-butyl-dimethyl-[[(1R,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]silane
CID 101144371
[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
CID 102322360

Frequently Asked Questions

What is the IUPAC name of [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane (CID 10085953) is [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane is CC(C)(C)O[C@H]1CC[C@@H]2C=C(O[Si](C)(C)C)CC[C@]12C.
What is the InChIKey of [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane?
The InChIKey is UQBJZAFRLCWNIV-KMFMINBZSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(2,3)18-15-9-8-13-12-14(19-20(5,6)7)10-11-17(13,15)4/h12-13,15H,8-11H2,1-7H3/t13-,15+,17+/m1/s1.
What are the key properties of [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane?
[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 10085953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).