tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane

C16H32O3Si — CID 135039842

IUPACtert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H32O3Si/c1-13(14-12-17-16(5,6)19-14)10-9-11-18-20(7,8)15(2,3)4/h14H,1,9-12H2,2-8H3/t14-/m1/s1
InChIKeyPOZIBTDSSPFMNW-CQSZACIVSA-N
MW300.52 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane

tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane (PubChem CID 135039842) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
PubChem CID135039842
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H32O3Si/c1-13(14-12-17-16(5,6)19-14)10-9-11-18-20(7,8)15(2,3)4/h14H,1,9-12H2,2-8H3/t14-/m1/s1
InChIKeyPOZIBTDSSPFMNW-CQSZACIVSA-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 ≤ 500300.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-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

Related Compounds

tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
rel-tert-butyl{[(2R,5S)-5-methoxy-3-methylenetetrahydrofuran-2-yl]methoxy}dimethylsilane
CID 639484
tert-butyl-[[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 11783958
tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
CID 22869106
tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
CID 69944761
[(4S)-4-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
CID 89372030
[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
CID 140518053
tert-butyl-dimethyl-[(2S)-4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane
CID 153475020
1-[(4R,5R)-5-but-1-en-2-yl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 161509453
Tert-butyl-dimethyl-[4-(2-methyl-1,3-dioxolan-2-yl)-1-prop-2-enoxybutan-2-yl]oxysilane
CID 173851046
[4-[4-(2,2-Dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane
CID 10769935
tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 10777632

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane (CID 135039842) is tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane is C=C(CCCO[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The InChIKey is POZIBTDSSPFMNW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-13(14-12-17-16(5,6)19-14)10-9-11-18-20(7,8)15(2,3)4/h14H,1,9-12H2,2-8H3/t14-/m1/s1.
What are the key properties of tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane has a molecular weight of 300.52 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-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 135039842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).