tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane

C24H46O3Si — CID 156679556

IUPACtert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane
SMILESCCCCC/C=C\C/C=C\CC(COC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O3Si/c1-7-8-9-10-11-12-13-14-15-18-22(27-28(5,6)24(2,3)4)21-26-23-19-16-17-20-25-23/h11-12,14-15,22-23H,7-10,13,16-21H2,1-6H3/b12-11-,15-14-
InChIKeyPDGWGYDBHMCQFE-HDXUUTQWSA-N
MW410.72 g/mol
LogP7.39
Rot. Bonds13

About tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane

tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane (PubChem CID 156679556) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane
PubChem CID156679556
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Nametert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane
SMILESCCCCC/C=C\C/C=C\CC(COC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O3Si/c1-7-8-9-10-11-12-13-14-15-18-22(27-28(5,6)24(2,3)4)21-26-23-19-16-17-20-25-23/h11-12,14-15,22-23H,7-10,13,16-21H2,1-6H3/b12-11-,15-14-
InChIKeyPDGWGYDBHMCQFE-HDXUUTQWSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane (CID 156679556) is tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane is CCCCC/C=C\C/C=C\CC(COC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane?
The InChIKey is PDGWGYDBHMCQFE-HDXUUTQWSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-7-8-9-10-11-12-13-14-15-18-22(27-28(5,6)24(2,3)4)21-26-23-19-16-17-20-25-23/h11-12,14-15,22-23H,7-10,13,16-21H2,1-6H3/b12-11-,15-14-.
What are the key properties of tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane?
tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane has a molecular weight of 410.72 g/mol, XLogP of 7.39, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4Z,7Z)-1-(oxan-2-yloxy)trideca-4,7-dien-2-yl]oxysilane is sourced from PubChem (CID 156679556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).