[(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane

C20H46O2Si3 — CID 58725965

IUPAC[(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane
SMILESCCCC/C=C/O[Si](C)(C)CCC(CCO[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C20H46O2Si3/c1-10-11-12-13-16-22-25(8,9)18-15-20(19-23(2,3)4)14-17-21-24(5,6)7/h13,16,20H,10-12,14-15,17-19H2,1-9H3/b16-13+
InChIKeyVCCQHVNTPUSARN-DTQAZKPQSA-N
MW402.84 g/mol
LogP7.50
Rot. Bonds14

About [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane

[(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane (PubChem CID 58725965) has the molecular formula C20H46O2Si3 and a molecular weight of 402.84 g/mol. Its IUPAC name is [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane.

Molecular Properties

Compound Name[(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane
PubChem CID58725965
Molecular FormulaC20H46O2Si3
Molecular Weight402.84 g/mol
Exact Mass402.28
IUPAC Name[(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane
SMILESCCCC/C=C/O[Si](C)(C)CCC(CCO[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C20H46O2Si3/c1-10-11-12-13-16-22-25(8,9)18-15-20(19-23(2,3)4)14-17-21-24(5,6)7/h13,16,20H,10-12,14-15,17-19H2,1-9H3/b16-13+
InChIKeyVCCQHVNTPUSARN-DTQAZKPQSA-N
XLogP7.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane?
The IUPAC name of [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane (CID 58725965) is [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane.
What is the SMILES notation for [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane?
The canonical SMILES for [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane is CCCC/C=C/O[Si](C)(C)CCC(CCO[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane?
The InChIKey is VCCQHVNTPUSARN-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H46O2Si3/c1-10-11-12-13-16-22-25(8,9)18-15-20(19-23(2,3)4)14-17-21-24(5,6)7/h13,16,20H,10-12,14-15,17-19H2,1-9H3/b16-13+.
What are the key properties of [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane?
[(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane has a molecular weight of 402.84 g/mol, XLogP of 7.50, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enoxy]-dimethyl-[3-(trimethylsilylmethyl)-5-trimethylsilyloxypentyl]silane is sourced from PubChem (CID 58725965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).