tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane

C22H44O3Si — CID 58304860

IUPACtert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\[C@@H](C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-12-13-18-20(24-22(8,9)23-18)19(15-14-17(4)16(2)3)25-26(10,11)21(5,6)7/h14-20H,12-13H2,1-11H3/b15-14-/t17-,18+,19?,20+/m1/s1
InChIKeyMLXPXXFFKIHLGI-UNVGLFTDSA-N
MW384.68 g/mol
LogP6.55
Rot. Bonds8

About tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane

tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane (PubChem CID 58304860) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane
PubChem CID58304860
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Nametert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\[C@@H](C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-12-13-18-20(24-22(8,9)23-18)19(15-14-17(4)16(2)3)25-26(10,11)21(5,6)7/h14-20H,12-13H2,1-11H3/b15-14-/t17-,18+,19?,20+/m1/s1
InChIKeyMLXPXXFFKIHLGI-UNVGLFTDSA-N
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.55
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-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane 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-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane (CID 58304860) is tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane is CCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\[C@@H](C)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane?
The InChIKey is MLXPXXFFKIHLGI-UNVGLFTDSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-12-13-18-20(24-22(8,9)23-18)19(15-14-17(4)16(2)3)25-26(10,11)21(5,6)7/h14-20H,12-13H2,1-11H3/b15-14-/t17-,18+,19?,20+/m1/s1.
What are the key properties of tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane?
tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane has a molecular weight of 384.68 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 58304860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).