trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane

C15H24OSSi — CID 11231339

IUPACtrimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane
SMILESCC[C@H](C)/C=C(/O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H24OSSi/c1-6-13(2)12-15(16-18(3,4)5)17-14-10-8-7-9-11-14/h7-13H,6H2,1-5H3/b15-12-/t13-/m0/s1
InChIKeyMIXNIMJHFFMLIZ-FRRXJZEGSA-N
MW280.51 g/mol
LogP5.52
Rot. Bonds6

About trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane

trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane (PubChem CID 11231339) has the molecular formula C15H24OSSi and a molecular weight of 280.51 g/mol. Its IUPAC name is trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane
PubChem CID11231339
Molecular FormulaC15H24OSSi
Molecular Weight280.51 g/mol
Exact Mass280.13
IUPAC Nametrimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane
SMILESCC[C@H](C)/C=C(/O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H24OSSi/c1-6-13(2)12-15(16-18(3,4)5)17-14-10-8-7-9-11-14/h7-13H,6H2,1-5H3/b15-12-/t13-/m0/s1
InChIKeyMIXNIMJHFFMLIZ-FRRXJZEGSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane 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 trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane?
The IUPAC name of trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane (CID 11231339) is trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane.
What is the SMILES notation for trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane?
The canonical SMILES for trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane is CC[C@H](C)/C=C(/O[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane?
The InChIKey is MIXNIMJHFFMLIZ-FRRXJZEGSA-N. The full InChI is InChI=1S/C15H24OSSi/c1-6-13(2)12-15(16-18(3,4)5)17-14-10-8-7-9-11-14/h7-13H,6H2,1-5H3/b15-12-/t13-/m0/s1.
What are the key properties of trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane?
trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane has a molecular weight of 280.51 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane is sourced from PubChem (CID 11231339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).