tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane

C19H38OSi — CID 10380722

IUPACtert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane
SMILESCC(C)(C)C=C=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-17(2,3)14-12-16(18(4,5)6)13-15-20-21(10,11)19(7,8)9/h14H,13,15H2,1-11H3
InChIKeyNJVQSNCLMVVKQW-UHFFFAOYSA-N
MW310.60 g/mol
LogP6.57
Rot. Bonds4

About tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane

tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane (PubChem CID 10380722) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane
PubChem CID10380722
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Nametert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane
SMILESCC(C)(C)C=C=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-17(2,3)14-12-16(18(4,5)6)13-15-20-21(10,11)19(7,8)9/h14H,13,15H2,1-11H3
InChIKeyNJVQSNCLMVVKQW-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[(2S)-2-ethenyl-2,6-dimethylhept-5-enoxy]-dimethylsilane
CID 24823998
2,3-Dimethylbutan-2-yl-dimethyl-(2,2,4-trimethylpent-4-enoxy)silane
CID 10901697
Tert-butyl-dimethyl-(7-methylnona-5,6-dienoxy)silane
CID 12194722
[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane
CID 100973090

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane (CID 10380722) is tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane is CC(C)(C)C=C=C(CCO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane?
The InChIKey is NJVQSNCLMVVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-17(2,3)14-12-16(18(4,5)6)13-15-20-21(10,11)19(7,8)9/h14H,13,15H2,1-11H3.
What are the key properties of tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane?
tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane is sourced from PubChem (CID 10380722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).