tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane

C23H48OSi — CID 139252725

IUPACtert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane
SMILESCCCCCCCC[C@H](C)/C=C/C[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48OSi/c1-10-11-12-13-14-15-17-20(2)18-16-19-21(3)22(4)24-25(8,9)23(5,6)7/h16,18,20-22H,10-15,17,19H2,1-9H3/b18-16+/t20-,21-,22-/m0/s1
InChIKeyBYDYTSLIIJCCKY-IVOWJGFJSA-N
MW368.72 g/mol
LogP8.37
Rot. Bonds13

About tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane (PubChem CID 139252725) has the molecular formula C23H48OSi and a molecular weight of 368.72 g/mol. Its IUPAC name is tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane
PubChem CID139252725
Molecular FormulaC23H48OSi
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Nametert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane
SMILESCCCCCCCC[C@H](C)/C=C/C[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48OSi/c1-10-11-12-13-14-15-17-20(2)18-16-19-21(3)22(4)24-25(8,9)23(5,6)7/h16,18,20-22H,10-15,17,19H2,1-9H3/b18-16+/t20-,21-,22-/m0/s1
InChIKeyBYDYTSLIIJCCKY-IVOWJGFJSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 58.37
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-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

tert-butyl-dimethyl-[(1S,6S)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 11543369
Tert-butyl-(1-cyclopent-3-en-1-ylbut-3-enoxy)-dimethylsilane
CID 11666003
tert-butyl-dimethyl-[(1S,6R)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 134979966
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
(Bis(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747137
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
triethyl-[(3S,5S)-2,2,5-trimethyloct-7-en-3-yl]oxysilane
CID 44131621
tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane
CID 57332271

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane (CID 139252725) is tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane is CCCCCCCC[C@H](C)/C=C/C[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is BYDYTSLIIJCCKY-IVOWJGFJSA-N. The full InChI is InChI=1S/C23H48OSi/c1-10-11-12-13-14-15-17-20(2)18-16-19-21(3)22(4)24-25(8,9)23(5,6)7/h16,18,20-22H,10-15,17,19H2,1-9H3/b18-16+/t20-,21-,22-/m0/s1.
What are the key properties of tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 368.72 g/mol, XLogP of 8.37, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 139252725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).