tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane

C23H42O2Si — CID 11068900

IUPACtert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane
SMILESC[C@H]1CC2=C[C@H]3C[C@@](C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]3OC(C)(C)C
InChIInChI=1S/C23H42O2Si/c1-15-11-16-12-17-13-23(8,19(16)20(17)24-21(2,3)4)14-18(15)25-26(9,10)22(5,6)7/h12,15,17-20H,11,13-14H2,1-10H3/t15-,17-,18-,19-,20+,23-/m0/s1
InChIKeyAXNWTBUDQBIJPA-QVPMCVFBSA-N
MW378.67 g/mol
LogP6.57
Rot. Bonds3

About tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane

tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane (PubChem CID 11068900) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane
PubChem CID11068900
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Nametert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane
SMILESC[C@H]1CC2=C[C@H]3C[C@@](C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]3OC(C)(C)C
InChIInChI=1S/C23H42O2Si/c1-15-11-16-12-17-13-23(8,19(16)20(17)24-21(2,3)4)14-18(15)25-26(9,10)22(5,6)7/h12,15,17-20H,11,13-14H2,1-10H3/t15-,17-,18-,19-,20+,23-/m0/s1
InChIKeyAXNWTBUDQBIJPA-QVPMCVFBSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.57
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'}

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Related Compounds

[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,4,7-hexahydroinden-5-yl]oxy-trimethylsilane
CID 9971826
[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-trimethylsilane
CID 10085953
(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
CID 11118956
tert-butyl-dimethyl-[[(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]silane
CID 11122072
(1S,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
CID 23230037
tert-butyl-dimethyl-[[(1S,3S,5S,6S,9S,10S)-6-methyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]silane
CID 23230061
8-Methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
CID 101144358
tert-butyl-dimethyl-[[(1R,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]silane
CID 101144371
Tert-butyl-dimethyl-[(8-methyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]silane
CID 101385537
Tert-butyl-[(8,10-dimethyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]-dimethylsilane
CID 101385539
[(3S,3aS,9aS,9bS)-9a-(2-methoxyethoxymethyl)-3a-methyl-7-(trimethylsilylmethyl)-2,3,4,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 102028916
[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
CID 102322360

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane (CID 11068900) is tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane is C[C@H]1CC2=C[C@H]3C[C@@](C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]3OC(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane?
The InChIKey is AXNWTBUDQBIJPA-QVPMCVFBSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-15-11-16-12-17-13-23(8,19(16)20(17)24-21(2,3)4)14-18(15)25-26(9,10)22(5,6)7/h12,15,17-20H,11,13-14H2,1-10H3/t15-,17-,18-,19-,20+,23-/m0/s1.
What are the key properties of tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane has a molecular weight of 378.67 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3S,5S,6S,9S,10R)-3,6-dimethyl-10-[(2-methylpropan-2-yl)oxy]-5-tricyclo[6.2.1.03,9]undec-8(11)-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 11068900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).