tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane

C13H25ClOSi — CID 23253894

IUPACtert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC=C=CCCCl
InChIInChI=1S/C13H25ClOSi/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7-8H,9-12H2,1-5H3
InChIKeyMXXSFALKJUDDNR-UHFFFAOYSA-N
MW260.88 g/mol
LogP4.74
Rot. Bonds6

About tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane

tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane (PubChem CID 23253894) has the molecular formula C13H25ClOSi and a molecular weight of 260.88 g/mol. Its IUPAC name is tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
PubChem CID23253894
Molecular FormulaC13H25ClOSi
Molecular Weight260.88 g/mol
Exact Mass260.14
IUPAC Nametert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC=C=CCCCl
InChIInChI=1S/C13H25ClOSi/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7-8H,9-12H2,1-5H3
InChIKeyMXXSFALKJUDDNR-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(5-trimethylsilylpenta-3,4-dienoxy)silane
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7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol
CID 88697890
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
tert-butyl-[(Z)-4-[tert-butyl(dimethyl)silyl]but-3-enoxy]-dimethylsilane
CID 11702169
tert-butyl-(chloromethoxy)-dimethylsilane
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CID 59072765
tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane
CID 134976577
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane
CID 101405395
tert-butyl-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane;2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 158402595

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane (CID 23253894) is tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC=C=CCCCl.
What is the InChIKey of tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane?
The InChIKey is MXXSFALKJUDDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClOSi/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h7-8H,9-12H2,1-5H3.
What are the key properties of tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane?
tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane has a molecular weight of 260.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane is sourced from PubChem (CID 23253894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).