tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane

C14H28O3Si — CID 11482710

IUPACtert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](C(=[13CH2])CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-11(12-10-15-14(5,6)17-12)9-16-18(7,8)13(2,3)4/h12H,1,9-10H2,2-8H3/t12-/m1/s1/i1+1
InChIKeyXPXXFTAFIVZIDT-NDNGVGAXSA-N
MW273.45 g/mol
LogP3.72
Rot. Bonds4

About tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane

tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane (PubChem CID 11482710) has the molecular formula C14H28O3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane
PubChem CID11482710
Molecular FormulaC14H28O3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Nametert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](C(=[13CH2])CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-11(12-10-15-14(5,6)17-12)9-16-18(7,8)13(2,3)4/h12H,1,9-10H2,2-8H3/t12-/m1/s1/i1+1
InChIKeyXPXXFTAFIVZIDT-NDNGVGAXSA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.72
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'}

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Related Compounds

tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327
[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,1,1-trifluoro-2-methoxybut-3-en-2-yl]oxy-trimethylsilane
CID 16092776
rel-tert-butyl{[(2R,5S)-5-methoxy-3-methylenetetrahydrofuran-2-yl]methoxy}dimethylsilane
CID 639484
tert-butyl-[[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11043922
tert-butyl-[[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 90075137
tert-butyl-[[(4R,5R)-5-[(Z)-2-methoxyethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 173641365
tert-butyl-[[(4R,5R)-5-(2-methoxyethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 173641366
tert-butyl-[[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 174096809
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-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane (CID 11482710) is tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane is CC1(C)OC[C@H](C(=[13CH2])CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane?
The InChIKey is XPXXFTAFIVZIDT-NDNGVGAXSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11(12-10-15-14(5,6)17-12)9-16-18(7,8)13(2,3)4/h12H,1,9-10H2,2-8H3/t12-/m1/s1/i1+1.
What are the key properties of tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane?
tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane has a molecular weight of 273.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11482710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).