tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane

C16H32O3Si — CID 59560724

IUPACtert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
SMILESC[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C16H32O3Si/c1-14(19-15-11-7-8-12-17-15)10-9-13-18-20(5,6)16(2,3)4/h9-10,14-15H,7-8,11-13H2,1-6H3/b10-9-/t14-,15?/m0/s1
InChIKeyKAQYRMGLGVDXOU-KVUJKBMMSA-N
MW300.51 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane

tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane (PubChem CID 59560724) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
PubChem CID59560724
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
SMILESC[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C16H32O3Si/c1-14(19-15-11-7-8-12-17-15)10-9-13-18-20(5,6)16(2,3)4/h9-10,14-15H,7-8,11-13H2,1-6H3/b10-9-/t14-,15?/m0/s1
InChIKeyKAQYRMGLGVDXOU-KVUJKBMMSA-N
XLogP4.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-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 tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane (CID 59560724) is tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane is C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane?
The InChIKey is KAQYRMGLGVDXOU-KVUJKBMMSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-14(19-15-11-7-8-12-17-15)10-9-13-18-20(5,6)16(2,3)4/h9-10,14-15H,7-8,11-13H2,1-6H3/b10-9-/t14-,15?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane?
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane has a molecular weight of 300.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane is sourced from PubChem (CID 59560724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).