tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane

C18H36O2Si — CID 11197758

IUPACtert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane
SMILESCCO/C=C\CC/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-19-16-14-12-10-8-9-11-13-15-17-20-21(5,6)18(2,3)4/h8-9,14,16H,7,10-13,15,17H2,1-6H3/b9-8-,16-14-
InChIKeyBLKFRBRWJYYMTH-CXRYTTAVSA-N
MW312.57 g/mol
LogP6.07
Rot. Bonds11

About tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane

tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane (PubChem CID 11197758) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane
PubChem CID11197758
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane
SMILESCCO/C=C\CC/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-19-16-14-12-10-8-9-11-13-15-17-20-21(5,6)18(2,3)4/h8-9,14,16H,7,10-13,15,17H2,1-6H3/b9-8-,16-14-
InChIKeyBLKFRBRWJYYMTH-CXRYTTAVSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101
(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane (CID 11197758) is tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane is CCO/C=C\CC/C=C\CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane?
The InChIKey is BLKFRBRWJYYMTH-CXRYTTAVSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-19-16-14-12-10-8-9-11-13-15-17-20-21(5,6)18(2,3)4/h8-9,14,16H,7,10-13,15,17H2,1-6H3/b9-8-,16-14-.
What are the key properties of tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane?
tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane has a molecular weight of 312.57 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane is sourced from PubChem (CID 11197758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).