tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane

C20H36OSi — CID 23649491

IUPACtert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
SMILESC=C1C[C@]2(C)CCC[C@@]23C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]13C
InChIInChI=1S/C20H36OSi/c1-15-12-18(5)10-9-11-20(18)14-16(13-19(15,20)6)21-22(7,8)17(2,3)4/h16H,1,9-14H2,2-8H3/t16-,18+,19+,20-/m1/s1
InChIKeyVCPQWQGOXNDZTJ-BTHPGYMESA-N
MW320.59 g/mol
LogP6.31
Rot. Bonds2

About tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane

tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane (PubChem CID 23649491) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
PubChem CID23649491
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
SMILESC=C1C[C@]2(C)CCC[C@@]23C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]13C
InChIInChI=1S/C20H36OSi/c1-15-12-18(5)10-9-11-20(18)14-16(13-19(15,20)6)21-22(7,8)17(2,3)4/h16H,1,9-14H2,2-8H3/t16-,18+,19+,20-/m1/s1
InChIKeyVCPQWQGOXNDZTJ-BTHPGYMESA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.31
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

tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
CID 10338712
[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 10989996
tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
CID 11119908
[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane
CID 15519993

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane (CID 23649491) is tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane is C=C1C[C@]2(C)CCC[C@@]23C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]13C.
What is the InChIKey of tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
The InChIKey is VCPQWQGOXNDZTJ-BTHPGYMESA-N. The full InChI is InChI=1S/C20H36OSi/c1-15-12-18(5)10-9-11-20(18)14-16(13-19(15,20)6)21-22(7,8)17(2,3)4/h16H,1,9-14H2,2-8H3/t16-,18+,19+,20-/m1/s1.
What are the key properties of tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane is sourced from PubChem (CID 23649491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).