tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane

C27H54OSi — CID 11327675

IUPACtert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
SMILESCCCCC/C=C\C=C\CC(CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h16,18,20,22,26H,8-15,17,19,21,23-25H2,1-7H3/b18-16-,22-20+
InChIKeyGIQQFHYFPMRRMI-PUXICNRBSA-N
MW422.81 g/mol
LogP9.99
Rot. Bonds18

About tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane

tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane (PubChem CID 11327675) has the molecular formula C27H54OSi and a molecular weight of 422.81 g/mol. Its IUPAC name is tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
PubChem CID11327675
Molecular FormulaC27H54OSi
Molecular Weight422.81 g/mol
Exact Mass422.39
IUPAC Nametert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
SMILESCCCCC/C=C\C=C\CC(CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h16,18,20,22,26H,8-15,17,19,21,23-25H2,1-7H3/b18-16-,22-20+
InChIKeyGIQQFHYFPMRRMI-PUXICNRBSA-N
XLogP9.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.81
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
cis-9-octadecenol, tBDMS
CID 6430273
(9E,12Z)-Tetradeca-9,12-dien-1-ol trimethylsilyl ether
CID 91697185
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
cis-9-Tetradecen-1-ol, trimethylsilyl ether
CID 91697356
13c,16c-docosadienol, tBDMS
CID 6430207
(Z)-Trimethyl(tetradec-11-en-1-yloxy)silane
CID 91697186
Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane (CID 11327675) is tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane is CCCCC/C=C\C=C\CC(CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane?
The InChIKey is GIQQFHYFPMRRMI-PUXICNRBSA-N. The full InChI is InChI=1S/C27H54OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h16,18,20,22,26H,8-15,17,19,21,23-25H2,1-7H3/b18-16-,22-20+.
What are the key properties of tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane?
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane has a molecular weight of 422.81 g/mol, XLogP of 9.99, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane is sourced from PubChem (CID 11327675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).