tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane

C26H48O2Si — CID 66575495

IUPACtert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C)CC[C@@H]2[C@@H](C)[C@]3(C)CC[C@@]2(C)O3)CC1
InChIInChI=1S/C26H48O2Si/c1-18-11-13-21(23(17-18)27-29(9,10)24(4,5)6)19(2)12-14-22-20(3)25(7)15-16-26(22,8)28-25/h17,19-23H,11-16H2,1-10H3/t19-,20+,21+,22+,23+,25-,26+/m0/s1
InChIKeyYJYFITYXRNYEKT-RFNZRWNMSA-N
MW420.75 g/mol
LogP7.74
Rot. Bonds6

About tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane (PubChem CID 66575495) has the molecular formula C26H48O2Si and a molecular weight of 420.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane
PubChem CID66575495
Molecular FormulaC26H48O2Si
Molecular Weight420.75 g/mol
Exact Mass420.34
IUPAC Nametert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C)CC[C@@H]2[C@@H](C)[C@]3(C)CC[C@@]2(C)O3)CC1
InChIInChI=1S/C26H48O2Si/c1-18-11-13-21(23(17-18)27-29(9,10)24(4,5)6)19(2)12-14-22-20(3)25(7)15-16-26(22,8)28-25/h17,19-23H,11-16H2,1-10H3/t19-,20+,21+,22+,23+,25-,26+/m0/s1
InChIKeyYJYFITYXRNYEKT-RFNZRWNMSA-N
XLogP7.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.75
LogP ≤ 57.74
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 tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

Laurenditerpenol
CID 11174259
(1S,6R)-3-methyl-6-{(1S)-1-methyl-3-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]propyl}cyclohex-2-en-1-ol
CID 44434920
(1S,6R)-3-methyl-6-{(1R)-1-methyl-3-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]propyl}cyclohex-2-en-1-ol
CID 44434921
(1R,6S)-3-methyl-6-{(1R)-1-methyl-3-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]propyl}cyclohex-2-en-1-ol
CID 44434922
(1S,6R)-3-methyl-6-[(2R)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-ol
CID 24740981
(1R,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-ol
CID 24741802
(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-ol
CID 24741472
3-Methyl-6-[4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-yl]cyclohex-2-en-1-ol
CID 11551287
(1S)-3-methyl-6-[4-[(1S,2R,3R)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-ol
CID 101371466
tert-butyl-dimethyl-[(2,4,6-trimethyl-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl)oxy]silane
CID 140692764
tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
CID 11188127
trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane
CID 11759780

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane (CID 66575495) is tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C)CC[C@@H]2[C@@H](C)[C@]3(C)CC[C@@]2(C)O3)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane?
The InChIKey is YJYFITYXRNYEKT-RFNZRWNMSA-N. The full InChI is InChI=1S/C26H48O2Si/c1-18-11-13-21(23(17-18)27-29(9,10)24(4,5)6)19(2)12-14-22-20(3)25(7)15-16-26(22,8)28-25/h17,19-23H,11-16H2,1-10H3/t19-,20+,21+,22+,23+,25-,26+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane has a molecular weight of 420.75 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 66575495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).