tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane

C18H36OSi — CID 134976577

IUPACtert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane
SMILES[2H]C(=C=CCCCCCO[Si](C)(C)C(C)(C)C)CCCC
InChIInChI=1S/C18H36OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h10,12H,7-9,13-17H2,1-6H3/i10D
InChIKeyRPVOVHCDOFVAKS-MMIHMFRQSA-N
MW297.58 g/mol
LogP6.47
Rot. Bonds10

About tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane

tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane (PubChem CID 134976577) has the molecular formula C18H36OSi and a molecular weight of 297.58 g/mol. Its IUPAC name is tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane
PubChem CID134976577
Molecular FormulaC18H36OSi
Molecular Weight297.58 g/mol
Exact Mass297.26
IUPAC Nametert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane
SMILES[2H]C(=C=CCCCCCO[Si](C)(C)C(C)(C)C)CCCC
InChIInChI=1S/C18H36OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h10,12H,7-9,13-17H2,1-6H3/i10D
InChIKeyRPVOVHCDOFVAKS-MMIHMFRQSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.58
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-(8,8-difluoroocta-6,7-dienoxy)-dimethylsilane
CID 162623288
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol
CID 88697890
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane (CID 134976577) is tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane is [2H]C(=C=CCCCCCO[Si](C)(C)C(C)(C)C)CCCC.
What is the InChIKey of tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane?
The InChIKey is RPVOVHCDOFVAKS-MMIHMFRQSA-N. The full InChI is InChI=1S/C18H36OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h10,12H,7-9,13-17H2,1-6H3/i10D.
What are the key properties of tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane?
tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane has a molecular weight of 297.58 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane is sourced from PubChem (CID 134976577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).