tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane

C22H38OSi2 — CID 87513341

IUPACtert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane
SMILESCC/C=C/CC(/C=C/C#CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi2/c1-10-11-15-18-21(23-25(8,9)22(2,3)4)19-16-13-12-14-17-20-24(5,6)7/h11,15-16,19,21H,10,14,18H2,1-9H3/b15-11+,19-16+
InChIKeyIZPAOYXSRDBTCD-LIQIVELISA-N
MW374.72 g/mol
LogP6.56
Rot. Bonds6

About tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane

tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane (PubChem CID 87513341) has the molecular formula C22H38OSi2 and a molecular weight of 374.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane
PubChem CID87513341
Molecular FormulaC22H38OSi2
Molecular Weight374.72 g/mol
Exact Mass374.25
IUPAC Nametert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane
SMILESCC/C=C/CC(/C=C/C#CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi2/c1-10-11-15-18-21(23-25(8,9)22(2,3)4)19-16-13-12-14-17-20-24(5,6)7/h11,15-16,19,21H,10,14,18H2,1-9H3/b15-11+,19-16+
InChIKeyIZPAOYXSRDBTCD-LIQIVELISA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane (CID 87513341) is tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane is CC/C=C/CC(/C=C/C#CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane?
The InChIKey is IZPAOYXSRDBTCD-LIQIVELISA-N. The full InChI is InChI=1S/C22H38OSi2/c1-10-11-15-18-21(23-25(8,9)22(2,3)4)19-16-13-12-14-17-20-24(5,6)7/h11,15-16,19,21H,10,14,18H2,1-9H3/b15-11+,19-16+.
What are the key properties of tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane?
tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane has a molecular weight of 374.72 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E,7E)-13-trimethylsilyltrideca-3,7-dien-9,12-diyn-6-yl]oxysilane is sourced from PubChem (CID 87513341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).