tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane

C22H42OSi — CID 177408454

IUPACtert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane
SMILESC=CCC[C@H](C=C[C@@](C)(CCC=C)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C22H42OSi/c1-11-13-15-20(19(3)4)16-18-22(8,17-14-12-2)23-24(9,10)21(5,6)7/h11-12,16,18-20H,1-2,13-15,17H2,3-10H3/t20-,22-/m1/s1
InChIKeyDFQGKWHIAMZICM-IFMALSPDSA-N
MW350.66 g/mol
LogP7.53
Rot. Bonds11

About tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane

tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane (PubChem CID 177408454) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane
PubChem CID177408454
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Nametert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane
SMILESC=CCC[C@H](C=C[C@@](C)(CCC=C)O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C22H42OSi/c1-11-13-15-20(19(3)4)16-18-22(8,17-14-12-2)23-24(9,10)21(5,6)7/h11-12,16,18-20H,1-2,13-15,17H2,3-10H3/t20-,22-/m1/s1
InChIKeyDFQGKWHIAMZICM-IFMALSPDSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.53
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'}

Analyze tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane with MolForge

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Related Compounds

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5-methoxy-5,6-dimethylhept-1-ene
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tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
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1-[[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-phenylhex-5-en-3-ol
CID 67445486
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hept-6-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane (CID 177408454) is tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane is C=CCC[C@H](C=C[C@@](C)(CCC=C)O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane?
The InChIKey is DFQGKWHIAMZICM-IFMALSPDSA-N. The full InChI is InChI=1S/C22H42OSi/c1-11-13-15-20(19(3)4)16-18-22(8,17-14-12-2)23-24(9,10)21(5,6)7/h11-12,16,18-20H,1-2,13-15,17H2,3-10H3/t20-,22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane?
tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane has a molecular weight of 350.66 g/mol, XLogP of 7.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane is sourced from PubChem (CID 177408454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).