tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane

C16H30O2Si — CID 134893107

IUPACtert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane
SMILESCOC#CC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(11-8-9-13-17-5)12-10-14-18-19(6,7)16(2,3)4/h11H,8,10,12,14H2,1-7H3/b15-11+
InChIKeyVQVVEAHNORLZTJ-RVDMUPIBSA-N
MW282.50 g/mol
LogP4.73
Rot. Bonds6

About tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane

tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane (PubChem CID 134893107) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane
PubChem CID134893107
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane
SMILESCOC#CC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(11-8-9-13-17-5)12-10-14-18-19(6,7)16(2,3)4/h11H,8,10,12,14H2,1-7H3/b15-11+
InChIKeyVQVVEAHNORLZTJ-RVDMUPIBSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
tert-butyl-[(E)-dodec-10-en-5-ynoxy]-dimethylsilane
CID 134887219
tert-butyl-dimethyl-[(Z)-8-trimethylsilyloct-5-en-7-ynoxy]silane
CID 135078784
Ricwfeqrwrfdea-xyokqwhbsa-
CID 50936710
Tert-butyl-dimethyl-(6-methylhept-5-enoxy)silane
CID 85603429
tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane
CID 87614435
tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane
CID 87614571
[(5E)-6,10-dimethylundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 89418003

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane (CID 134893107) is tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane is COC#CC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane?
The InChIKey is VQVVEAHNORLZTJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(11-8-9-13-17-5)12-10-14-18-19(6,7)16(2,3)4/h11H,8,10,12,14H2,1-7H3/b15-11+.
What are the key properties of tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane?
tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 134893107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).