[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane

C20H34OSi — CID 24755647

IUPAC[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CC2=CC=C3CC[C@]3(C)[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34OSi/c1-18(2,3)22(7,8)21-17-16-14(13-19(17,4)5)9-10-15-11-12-20(15,16)6/h9-10,16-17H,11-13H2,1-8H3/t16-,17+,20+/m1/s1
InChIKeyOOCGNJVFCSHKIW-UWVAXJGDSA-N
MW318.58 g/mol
LogP6.09
Rot. Bonds2

About [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane

[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 24755647) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID24755647
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Name[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CC2=CC=C3CC[C@]3(C)[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34OSi/c1-18(2,3)22(7,8)21-17-16-14(13-19(17,4)5)9-10-15-11-12-20(15,16)6/h9-10,16-17H,11-13H2,1-8H3/t16-,17+,20+/m1/s1
InChIKeyOOCGNJVFCSHKIW-UWVAXJGDSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10902926
tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
CID 59889233
[(1R,3aR,4Z,8Z,9aS)-2,2,5-trimethyl-1,3,3a,6,7,9a-hexahydrocyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane
CID 53472950
(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6,6,8a-trimethyl-1,2,3,5,7,8-hexahydronaphthalene-2,3-diol
CID 102023847
(4aR,5R,6S,8S)-8-bromo-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10905169
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 102246926
tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane
CID 70005010
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170702889
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
CID 139809790
[(3S,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
CID 10415696

Frequently Asked Questions

What is the IUPAC name of [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane (CID 24755647) is [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane is CC1(C)CC2=CC=C3CC[C@]3(C)[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OOCGNJVFCSHKIW-UWVAXJGDSA-N. The full InChI is InChI=1S/C20H34OSi/c1-18(2,3)22(7,8)21-17-16-14(13-19(17,4)5)9-10-15-11-12-20(15,16)6/h9-10,16-17H,11-13H2,1-8H3/t16-,17+,20+/m1/s1.
What are the key properties of [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane?
[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 24755647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).