[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate

C18H34O4Si — CID 134813807

IUPAC[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-15(2)11-9-12-16(13-10-14-21-17(19)20-6)22-23(7,8)18(3,4)5/h10,12-13,15H,9,11,14H2,1-8H3/b13-10+,16-12-
InChIKeyRWAFVPWZWXOSKC-AFYTUWTHSA-N
MW342.55 g/mol
LogP5.67
Rot. Bonds8

About [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate

[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate (PubChem CID 134813807) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate
PubChem CID134813807
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-15(2)11-9-12-16(13-10-14-21-17(19)20-6)22-23(7,8)18(3,4)5/h10,12-13,15H,9,11,14H2,1-8H3/b13-10+,16-12-
InChIKeyRWAFVPWZWXOSKC-AFYTUWTHSA-N
XLogP5.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate (CID 134813807) is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate is COC(=O)OC/C=C/C(=C/CCC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate?
The InChIKey is RWAFVPWZWXOSKC-AFYTUWTHSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-15(2)11-9-12-16(13-10-14-21-17(19)20-6)22-23(7,8)18(3,4)5/h10,12-13,15H,9,11,14H2,1-8H3/b13-10+,16-12-.
What are the key properties of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate?
[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate has a molecular weight of 342.55 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 134813807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).