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

C16H32O3Si — CID 10357472

IUPACtert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-10-13(19-20(7,8)15(2,3)4)11-14-12-17-16(5,6)18-14/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m0/s1
InChIKeyMJRQGWBFFGIALX-KBPBESRZSA-N
MW300.51 g/mol
LogP4.49
Rot. Bonds6

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

tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 10357472) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID10357472
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-10-13(19-20(7,8)15(2,3)4)11-14-12-17-16(5,6)18-14/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m0/s1
InChIKeyMJRQGWBFFGIALX-KBPBESRZSA-N
XLogP4.49
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 ≤ 54.49
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-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-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

[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 24861887
tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane
CID 25018438
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
[(E,2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44515760
2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
tert-butyl-dimethyl-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841870
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841871
tert-butyl-[(2S)-5-[(5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841955
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842437
[(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane
CID 134881286

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane (CID 10357472) is tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane is C=CC[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is MJRQGWBFFGIALX-KBPBESRZSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-10-13(19-20(7,8)15(2,3)4)11-14-12-17-16(5,6)18-14/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 300.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10357472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).