tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane

C17H34OSi — CID 11437528

IUPACtert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane
SMILESCC(C)/C=C/C(=C/CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-14(2)10-12-16(13-11-15(3)4)18-19(8,9)17(5,6)7/h10,12-15H,11H2,1-9H3/b12-10+,16-13-
InChIKeyNNIFAYYUXLSAJN-YCNRLPBWSA-N
MW282.54 g/mol
LogP6.15
Rot. Bonds6

About tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane

tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane (PubChem CID 11437528) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane
PubChem CID11437528
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane
SMILESCC(C)/C=C/C(=C/CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-14(2)10-12-16(13-11-15(3)4)18-19(8,9)17(5,6)7/h10,12-15H,11H2,1-9H3/b12-10+,16-13-
InChIKeyNNIFAYYUXLSAJN-YCNRLPBWSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 56.15
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane (CID 11437528) is tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane is CC(C)/C=C/C(=C/CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane?
The InChIKey is NNIFAYYUXLSAJN-YCNRLPBWSA-N. The full InChI is InChI=1S/C17H34OSi/c1-14(2)10-12-16(13-11-15(3)4)18-19(8,9)17(5,6)7/h10,12-15H,11H2,1-9H3/b12-10+,16-13-.
What are the key properties of tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane?
tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5Z)-2,8-dimethylnona-3,5-dien-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 11437528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).