tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane

C13H26O3Si — CID 10611259

IUPACtert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](/C=C/C1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(7-8-12-14-9-10-15-12)16-17(5,6)13(2,3)4/h7-8,11-12H,9-10H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyYYGQKDWYNVSGED-AEZGRPFRSA-N
MW258.43 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane (PubChem CID 10611259) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane
PubChem CID10611259
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](/C=C/C1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(7-8-12-14-9-10-15-12)16-17(5,6)13(2,3)4/h7-8,11-12H,9-10H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyYYGQKDWYNVSGED-AEZGRPFRSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.33
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-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-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

(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane
CID 11970580
4-Piperidinamine,1-methyl-3-(1-methylethyl)-
CID 53426669
tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylbut-1-en-2-yl]oxy-trimethylsilane
CID 15247900
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole
CID 102031096

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane (CID 10611259) is tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane is C[C@@H](/C=C/C1OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is YYGQKDWYNVSGED-AEZGRPFRSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(7-8-12-14-9-10-15-12)16-17(5,6)13(2,3)4/h7-8,11-12H,9-10H2,1-6H3/b8-7+/t11-/m0/s1.
What are the key properties of tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10611259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).