[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane

C17H34Cl2O2Si2 — CID 90436051

IUPAC[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane
SMILESC/C=C(Cl)\C(=C(\Cl)CC)C(O[Si](C)(C)C)C(CC)O[Si](C)(C)C
InChIInChI=1S/C17H34Cl2O2Si2/c1-10-13(18)16(14(19)11-2)17(21-23(7,8)9)15(12-3)20-22(4,5)6/h10,15,17H,11-12H2,1-9H3/b13-10+,16-14-
InChIKeyOCNXENVWGJHIEQ-WSGDEHQQSA-N
MW397.54 g/mol
LogP6.88
Rot. Bonds9

About [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane

[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane (PubChem CID 90436051) has the molecular formula C17H34Cl2O2Si2 and a molecular weight of 397.54 g/mol. Its IUPAC name is [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane
PubChem CID90436051
Molecular FormulaC17H34Cl2O2Si2
Molecular Weight397.54 g/mol
Exact Mass396.15
IUPAC Name[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane
SMILESC/C=C(Cl)\C(=C(\Cl)CC)C(O[Si](C)(C)C)C(CC)O[Si](C)(C)C
InChIInChI=1S/C17H34Cl2O2Si2/c1-10-13(18)16(14(19)11-2)17(21-23(7,8)9)15(12-3)20-22(4,5)6/h10,15,17H,11-12H2,1-9H3/b13-10+,16-14-
InChIKeyOCNXENVWGJHIEQ-WSGDEHQQSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane (CID 90436051) is [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane is C/C=C(Cl)\C(=C(\Cl)CC)C(O[Si](C)(C)C)C(CC)O[Si](C)(C)C.
What is the InChIKey of [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane?
The InChIKey is OCNXENVWGJHIEQ-WSGDEHQQSA-N. The full InChI is InChI=1S/C17H34Cl2O2Si2/c1-10-13(18)16(14(19)11-2)17(21-23(7,8)9)15(12-3)20-22(4,5)6/h10,15,17H,11-12H2,1-9H3/b13-10+,16-14-.
What are the key properties of [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane?
[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane has a molecular weight of 397.54 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 90436051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).