tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane

C18H32OSi — CID 11119908

IUPACtert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CC=C[C@@H]2CC[C@@]13C
InChIInChI=1S/C18H32OSi/c1-16(2,3)20(5,6)19-15-10-13-18-11-7-8-14(18)9-12-17(15,18)4/h7-8,14-15H,9-13H2,1-6H3/t14-,15+,17+,18+/m1/s1
InChIKeyIKOCOIXGDNDMDS-FZCLSBEQSA-N
MW292.54 g/mol
LogP5.53
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane

tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane (PubChem CID 11119908) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
PubChem CID11119908
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CC=C[C@@H]2CC[C@@]13C
InChIInChI=1S/C18H32OSi/c1-16(2,3)20(5,6)19-15-10-13-18-11-7-8-14(18)9-12-17(15,18)4/h7-8,14-15H,9-13H2,1-6H3/t14-,15+,17+,18+/m1/s1
InChIKeyIKOCOIXGDNDMDS-FZCLSBEQSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.53
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

[(1R)-1-but-3-enyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015332
[(1R)-1-but-3-enyl-5,5-dimethyl-1,2,3,3a,4,6-hexahydropentalen-6a-id-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015486
[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-4-iodopent-4-enoxy]-trimethylsilane
CID 146168334
[(1R)-1-[(1R,3aS,3bR,6aR)-1,4,4,6a-tetramethyl-2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalen-1-yl]-3-iodobut-3-enoxy]-trimethylsilane
CID 155934827
CID 178270072
CID 178270072
[6a-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 54162250
[6a-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 57012651
[6a-[4-[butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 57031779
[6a-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 57193725
[6a-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 57299336
tert-butyl-dimethyl-[[(1S,2S,3S,6R,7R)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane
CID 58907308
[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918222

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane (CID 11119908) is tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CC=C[C@@H]2CC[C@@]13C.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane?
The InChIKey is IKOCOIXGDNDMDS-FZCLSBEQSA-N. The full InChI is InChI=1S/C18H32OSi/c1-16(2,3)20(5,6)19-15-10-13-18-11-7-8-14(18)9-12-17(15,18)4/h7-8,14-15H,9-13H2,1-6H3/t14-,15+,17+,18+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane has a molecular weight of 292.54 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane is sourced from PubChem (CID 11119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).