tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane

C25H46OSi — CID 11749629

IUPACtert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
SMILESCC1=C[C@@](C)(CC[C@@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]2C3(C)C)CC1
InChIInChI=1S/C25H46OSi/c1-18-11-12-24(7,16-18)13-14-25(8)17-20(19-15-21(25)23(19,5)6)26-27(9,10)22(2,3)4/h16,19-21H,11-15,17H2,1-10H3/t19-,20+,21-,24-,25+/m1/s1
InChIKeyQJPABVCJADYKEC-RMWGXBEESA-N
MW390.73 g/mol
LogP7.98
Rot. Bonds5

About tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane

tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane (PubChem CID 11749629) has the molecular formula C25H46OSi and a molecular weight of 390.73 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
PubChem CID11749629
Molecular FormulaC25H46OSi
Molecular Weight390.73 g/mol
Exact Mass390.33
IUPAC Nametert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
SMILESCC1=C[C@@](C)(CC[C@@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]2C3(C)C)CC1
InChIInChI=1S/C25H46OSi/c1-18-11-12-24(7,16-18)13-14-25(8)17-20(19-15-21(25)23(19,5)6)26-27(9,10)22(2,3)4/h16,19-21H,11-15,17H2,1-10H3/t19-,20+,21-,24-,25+/m1/s1
InChIKeyQJPABVCJADYKEC-RMWGXBEESA-N
XLogP7.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 57.98
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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CID 90662652
tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane (CID 11749629) is tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane is CC1=C[C@@](C)(CC[C@@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]2C3(C)C)CC1.
What is the InChIKey of tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
The InChIKey is QJPABVCJADYKEC-RMWGXBEESA-N. The full InChI is InChI=1S/C25H46OSi/c1-18-11-12-24(7,16-18)13-14-25(8)17-20(19-15-21(25)23(19,5)6)26-27(9,10)22(2,3)4/h16,19-21H,11-15,17H2,1-10H3/t19-,20+,21-,24-,25+/m1/s1.
What are the key properties of tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane?
tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane has a molecular weight of 390.73 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane is sourced from PubChem (CID 11749629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).