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

C22H40O2Si — CID 23230061

IUPACtert-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
SMILESC[C@H]1CC2=C[C@@H]3C[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2[C@H]3OC(C)(C)C
InChIInChI=1S/C22H40O2Si/c1-14-10-15-11-17-12-16(19(15)20(17)23-21(2,3)4)13-18(14)24-25(8,9)22(5,6)7/h11,14,16-20H,10,12-13H2,1-9H3/t14-,16-,17+,18-,19+,20-/m0/s1
InChIKeyDWJUNSPRLSNZMZ-MWVHYEFZSA-N
MW364.65 g/mol
LogP6.18
Rot. Bonds3

About 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

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 (PubChem CID 23230061) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID23230061
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Nametert-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
SMILESC[C@H]1CC2=C[C@@H]3C[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2[C@H]3OC(C)(C)C
InChIInChI=1S/C22H40O2Si/c1-14-10-15-11-17-12-16(19(15)20(17)23-21(2,3)4)13-18(14)24-25(8,9)22(5,6)7/h11,14,16-20H,10,12-13H2,1-9H3/t14-,16-,17+,18-,19+,20-/m0/s1
InChIKeyDWJUNSPRLSNZMZ-MWVHYEFZSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.18
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

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CID 10085953
(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
CID 11021319
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
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
tert-butyl-[[(1R,3R,4S,7R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane
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2-[(1S,2R,3R,4R)-3-(2-acetyloxyethyl)-7-triethylsilyloxy-2-bicyclo[2.2.1]hept-5-enyl]ethyl acetate
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(1R,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
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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
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[(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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CC2=C[C@@H]3C[C@@H](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-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?
The InChIKey is DWJUNSPRLSNZMZ-MWVHYEFZSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-14-10-15-11-17-12-16(19(15)20(17)23-21(2,3)4)13-18(14)24-25(8,9)22(5,6)7/h11,14,16-20H,10,12-13H2,1-9H3/t14-,16-,17+,18-,19+,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 364.65 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23230061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).