[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane

C18H26OSi — CID 11358148

IUPAC[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1Cc2ccccc2[C@@H]2C=C[C@H]12
InChIInChI=1S/C18H26OSi/c1-18(2,3)20(4,5)19-17-12-13-8-6-7-9-14(13)15-10-11-16(15)17/h6-11,15-17H,12H2,1-5H3/t15-,16-,17-/m0/s1
InChIKeyJRFPCJRNIURFMW-ULQDDVLXSA-N
MW286.49 g/mol
LogP4.90
Rot. Bonds2

About [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane

[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11358148) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11358148
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1Cc2ccccc2[C@@H]2C=C[C@H]12
InChIInChI=1S/C18H26OSi/c1-18(2,3)20(4,5)19-17-12-13-8-6-7-9-14(13)15-10-11-16(15)17/h6-11,15-17H,12H2,1-5H3/t15-,16-,17-/m0/s1
InChIKeyJRFPCJRNIURFMW-ULQDDVLXSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(2R,3R,4R,5R)-N,N'-bis[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-3,4-dihydroxy-2,5-bis[(2-iodophenyl)methoxy]hexanediamide
CID 11513645
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
CID 12061237
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
4-N-[(1R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]-2-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine
CID 66798205
tert-butyl-dimethyl-[[(1S,3S)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy]silane
CID 10620733
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
CID 10521711

Frequently Asked Questions

What is the IUPAC name of [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane (CID 11358148) is [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1Cc2ccccc2[C@@H]2C=C[C@H]12.
What is the InChIKey of [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JRFPCJRNIURFMW-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H26OSi/c1-18(2,3)20(4,5)19-17-12-13-8-6-7-9-14(13)15-10-11-16(15)17/h6-11,15-17H,12H2,1-5H3/t15-,16-,17-/m0/s1.
What are the key properties of [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11358148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).