tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane

C22H36OSi — CID 14710921

IUPACtert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane
SMILESCC(C)=CCCC(C)/C=C(\O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H36OSi/c1-18(2)13-12-14-19(3)17-21(20-15-10-9-11-16-20)23-24(7,8)22(4,5)6/h9-11,13,15-17,19H,12,14H2,1-8H3/b21-17-
InChIKeyPMELVKGVBQVZLT-FXBPSFAMSA-N
MW344.62 g/mol
LogP7.43
Rot. Bonds7

About tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane

tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane (PubChem CID 14710921) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane
PubChem CID14710921
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Nametert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane
SMILESCC(C)=CCCC(C)/C=C(\O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H36OSi/c1-18(2)13-12-14-19(3)17-21(20-15-10-9-11-16-20)23-24(7,8)22(4,5)6/h9-11,13,15-17,19H,12,14H2,1-8H3/b21-17-
InChIKeyPMELVKGVBQVZLT-FXBPSFAMSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate
CID 102331027
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
tert-butyl-dimethyl-[(Z)-1-phenyl-2-(trifluoromethoxy)ethenoxy]silane
CID 135012556
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
CID 100917085
diethyl 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2-ethynylpropanedioate
CID 101002395
dimethyl 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2-pent-4-ynylpropanedioate
CID 135077508
[(2S,3S)-1-hydroxy-3,7-dimethyloct-6-en-2-yl] benzoate
CID 102525258
benzoic acid;N,6-dimethylhept-5-en-2-amine
CID 138630133
(2E,3E,5S)-2-(diethylaminomethylidene)-5,9-dimethyl-3-phenyldeca-3,8-dienal
CID 10664833

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane (CID 14710921) is tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane is CC(C)=CCCC(C)/C=C(\O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane?
The InChIKey is PMELVKGVBQVZLT-FXBPSFAMSA-N. The full InChI is InChI=1S/C22H36OSi/c1-18(2)13-12-14-19(3)17-21(20-15-10-9-11-16-20)23-24(7,8)22(4,5)6/h9-11,13,15-17,19H,12,14H2,1-8H3/b21-17-.
What are the key properties of tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane?
tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 14710921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).