trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane

C22H38OSi — CID 11759780

IUPACtrimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane
SMILESC/C(=C\CCC#CC[Si](C)(C)C)CCC1C(C)(C)[C@@H]2CC[C@@]1(C)O2
InChIInChI=1S/C22H38OSi/c1-18(12-10-8-9-11-17-24(5,6)7)13-14-19-21(2,3)20-15-16-22(19,4)23-20/h12,19-20H,8,10,13-17H2,1-7H3/b18-12+/t19?,20-,22+/m0/s1
InChIKeyOTJNYJYVCZHXHM-WTBFGHRKSA-N
MW346.63 g/mol
LogP6.43
Rot. Bonds6

About trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane

trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane (PubChem CID 11759780) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane
PubChem CID11759780
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametrimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane
SMILESC/C(=C\CCC#CC[Si](C)(C)C)CCC1C(C)(C)[C@@H]2CC[C@@]1(C)O2
InChIInChI=1S/C22H38OSi/c1-18(12-10-8-9-11-17-24(5,6)7)13-14-19-21(2,3)20-15-16-22(19,4)23-20/h12,19-20H,8,10,13-17H2,1-7H3/b18-12+/t19?,20-,22+/m0/s1
InChIKeyOTJNYJYVCZHXHM-WTBFGHRKSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane with MolForge

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Related Compounds

(1R,2S,4S)-2-[(3E)-3,8-dimethylnona-3,7-dienyl]-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane
CID 162941184
(1R,4S)-2-[(3Z,7E,11E)-4-fluoro-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane
CID 11015745
[(2S,4aR,8aR)-1,1,4a-trimethyl-6-(2-trimethylsilylethynyl)-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 155933466
[(7Z,11Z,15E)-12-fluoro-5,5,8,11,16-pentamethyl-18-[(1R,2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]octadeca-7,11,15-trien-2-ynyl]-trimethylsilane
CID 10076031
[(6R)-6-[(3aR,4S,7aS)-7a-methyl-4-trimethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-2-methylhept-3-yn-2-yl]oxy-tert-butyl-dimethylsilane
CID 10863533
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 66575495
[(3aR,4S,7aS)-7a-methyl-1-[(2R)-non-4-yn-2-yl]-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-trimethylsilane
CID 100993426
[6-[(3aR,4S,7aS)-7a-methyl-4-trimethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-2-methylhex-3-yn-2-yl]oxy-tert-butyl-dimethylsilane
CID 100993427
[(3aR,4S,7aS)-1-[(2R)-dec-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-trimethylsilane
CID 100995927
2-(3,8-Dimethylnona-3,7-dienyl)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane
CID 162941183
1,3,3-trimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-7-oxabicyclo[2.2.1]heptane
CID 177414573

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane?
The IUPAC name of trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane (CID 11759780) is trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane is C/C(=C\CCC#CC[Si](C)(C)C)CCC1C(C)(C)[C@@H]2CC[C@@]1(C)O2.
What is the InChIKey of trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane?
The InChIKey is OTJNYJYVCZHXHM-WTBFGHRKSA-N. The full InChI is InChI=1S/C22H38OSi/c1-18(12-10-8-9-11-17-24(5,6)7)13-14-19-21(2,3)20-15-16-22(19,4)23-20/h12,19-20H,8,10,13-17H2,1-7H3/b18-12+/t19?,20-,22+/m0/s1.
What are the key properties of trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane?
trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane has a molecular weight of 346.63 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-7-methyl-9-[(1R,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]non-6-en-2-ynyl]silane is sourced from PubChem (CID 11759780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).