[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane

C19H38OSi — CID 15441003

IUPAC[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)/C=C\C(=C(C)C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-11-21(12-2,13-3)20-19(9,10)15-14-17(16(4)5)18(6,7)8/h14-15H,11-13H2,1-10H3/b15-14-
InChIKeyIPSMFPGEOMQDEW-PFONDFGASA-N
MW310.60 g/mol
LogP6.73
Rot. Bonds7

About [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane

[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane (PubChem CID 15441003) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane
PubChem CID15441003
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)/C=C\C(=C(C)C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-11-21(12-2,13-3)20-19(9,10)15-14-17(16(4)5)18(6,7)8/h14-15H,11-13H2,1-10H3/b15-14-
InChIKeyIPSMFPGEOMQDEW-PFONDFGASA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane
CID 11438269
tert-butyl-[1-[(2Z)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 24862243
tert-butyl-[1-[(2E)-5,5-dimethylocta-2,7-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 134844444
tert-butyl-[1-[(2Z)-5,5-dimethylhepta-2,6-dien-2-yl]cyclopropyl]oxy-dimethylsilane
CID 134963682
Bis[(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane
CID 135074238
Tert-butyl-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-dimethylsilane
CID 15473284
trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane
CID 23324279
Trimethyl[[1-methyl-3-[2,6,6-trimethyl-3-(trimethylsiloxy)-1,3-cyclohexadien-1-yl]-1-vinylallyl]oxy]silane
CID 54394290
Tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;chlorozinc(1+)
CID 10666447
Magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide
CID 10666681
tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane
CID 11000407
tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane
CID 11437528

Frequently Asked Questions

What is the IUPAC name of [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane?
The IUPAC name of [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane (CID 15441003) is [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane?
The canonical SMILES for [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)/C=C\C(=C(C)C)C(C)(C)C.
What is the InChIKey of [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane?
The InChIKey is IPSMFPGEOMQDEW-PFONDFGASA-N. The full InChI is InChI=1S/C19H38OSi/c1-11-21(12-2,13-3)20-19(9,10)15-14-17(16(4)5)18(6,7)8/h14-15H,11-13H2,1-10H3/b15-14-.
What are the key properties of [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane?
[(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-tert-butyl-2,6-dimethylhepta-3,5-dien-2-yl]oxy-triethylsilane is sourced from PubChem (CID 15441003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).