tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane

C14H24OS2Si — CID 135038240

IUPACtert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C=C\C=C=C1SCCCS1
InChIInChI=1S/C14H24OS2Si/c1-14(2,3)18(4,5)15-10-7-6-9-13-16-11-8-12-17-13/h6-7,10H,8,11-12H2,1-5H3/b10-7-
InChIKeyLKDBBOOWXZMBEH-YFHOEESVSA-N
MW300.57 g/mol
LogP5.39
Rot. Bonds3

About tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane

tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane (PubChem CID 135038240) has the molecular formula C14H24OS2Si and a molecular weight of 300.57 g/mol. Its IUPAC name is tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane
PubChem CID135038240
Molecular FormulaC14H24OS2Si
Molecular Weight300.57 g/mol
Exact Mass300.10
IUPAC Nametert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C=C\C=C=C1SCCCS1
InChIInChI=1S/C14H24OS2Si/c1-14(2,3)18(4,5)15-10-7-6-9-13-16-11-8-12-17-13/h6-7,10H,8,11-12H2,1-5H3/b10-7-
InChIKeyLKDBBOOWXZMBEH-YFHOEESVSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-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

tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
CID 173308840
tert-butyl-dimethyl-[(E)-2-(2-methyl-1,3-dithiolan-2-yl)ethenoxy]silane
CID 101126959
tert-butyl-dimethyl-[(E)-3,4,4-trimethylpent-1-enoxy]silane
CID 101149922
tert-butyl-dimethyl-[(1E,3E)-4-morpholin-4-ylbuta-1,3-dienoxy]silane
CID 101391276
tert-butyl-dimethyl-[(1Z,3E)-octa-1,3-dienoxy]silane
CID 11615647
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylethenamine
CID 59793232
1-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]cycloheptane-1-carbonitrile
CID 101262100
1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol
CID 11208694
tert-butyl-dimethyl-[(1E,3Z)-3-trimethylsilyloxypenta-1,3-dienoxy]silane
CID 101185110
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylbut-3-enenitrile
CID 102246693

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane (CID 135038240) is tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O/C=C\C=C=C1SCCCS1.
What is the InChIKey of tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane?
The InChIKey is LKDBBOOWXZMBEH-YFHOEESVSA-N. The full InChI is InChI=1S/C14H24OS2Si/c1-14(2,3)18(4,5)15-10-7-6-9-13-16-11-8-12-17-13/h6-7,10H,8,11-12H2,1-5H3/b10-7-.
What are the key properties of tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane?
tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane has a molecular weight of 300.57 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane is sourced from PubChem (CID 135038240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).