tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane

C16H32OSi — CID 134967010

IUPACtert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane
SMILESC=C(C)/C=C\CC(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-13(2)11-10-12-14(3)15(4)17-18(8,9)16(5,6)7/h10-11,14-15H,1,12H2,2-9H3/b11-10-
InChIKeyPLGYPMGOBFJZJN-KHPPLWFESA-N
MW268.52 g/mol
LogP5.56
Rot. Bonds6

About tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane (PubChem CID 134967010) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane
PubChem CID134967010
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane
SMILESC=C(C)/C=C\CC(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-13(2)11-10-12-14(3)15(4)17-18(8,9)16(5,6)7/h10-11,14-15H,1,12H2,2-9H3/b11-10-
InChIKeyPLGYPMGOBFJZJN-KHPPLWFESA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.56
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'}

Analyze tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane (CID 134967010) is tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane is C=C(C)/C=C\CC(C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane?
The InChIKey is PLGYPMGOBFJZJN-KHPPLWFESA-N. The full InChI is InChI=1S/C16H32OSi/c1-13(2)11-10-12-14(3)15(4)17-18(8,9)16(5,6)7/h10-11,14-15H,1,12H2,2-9H3/b11-10-.
What are the key properties of tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5Z)-3,7-dimethylocta-5,7-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134967010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).