trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane

C21H42O2Si2 — CID 132510972

IUPACtrimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane
SMILESCC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](C)C=C1O[Si](C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-17(2)12-11-15-21(4,23-25(8,9)10)19-14-13-18(3)16-20(19)22-24(5,6)7/h12,16,18-19H,11,13-15H2,1-10H3/t18-,19-,21+/m1/s1
InChIKeyXZSBKBKWPWITQO-SBHAEUEKSA-N
MW382.74 g/mol
LogP7.12
Rot. Bonds8

About trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane

trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane (PubChem CID 132510972) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane
PubChem CID132510972
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametrimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane
SMILESCC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](C)C=C1O[Si](C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-17(2)12-11-15-21(4,23-25(8,9)10)19-14-13-18(3)16-20(19)22-24(5,6)7/h12,16,18-19H,11,13-15H2,1-10H3/t18-,19-,21+/m1/s1
InChIKeyXZSBKBKWPWITQO-SBHAEUEKSA-N
XLogP7.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 57.12
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

[(4aS,8aS)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
CID 164675582
alpha-Bisabolol, TMS derivative
CID 14486055
trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 14060264
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
3-[2-[Tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate
CID 164683732
Trimethyl-(2-(4-methyl-1-cyclohex-3-enyl)-1-trimethylsilyloxy-propan-2-yl)oxysilane
CID 187239
Triethyl-(3-heptan-2-ylcyclohexen-1-yl)oxysilane
CID 101791702
triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane
CID 132510973
[(3S)-4-(2-tert-butylsilyloxypropan-2-yl)-3-(6-methylhept-2-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 149765410
[4-(1,3,4,4,5,5,6-Heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane
CID 151496640
[2-(1,3,4,4,5,5,6-Heptamethyl-6-silyloxycyclohex-2-en-1-yl)-1,2-disilyloxyethenyl]-methylsilane
CID 153806031
trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane
CID 10891741

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane (CID 132510972) is trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane is CC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CC[C@@H](C)C=C1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane?
The InChIKey is XZSBKBKWPWITQO-SBHAEUEKSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-17(2)12-11-15-21(4,23-25(8,9)10)19-14-13-18(3)16-20(19)22-24(5,6)7/h12,16,18-19H,11,13-15H2,1-10H3/t18-,19-,21+/m1/s1.
What are the key properties of trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane?
trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane has a molecular weight of 382.74 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane is sourced from PubChem (CID 132510972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).