tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C21H40O3Si — CID 11089942

IUPACtert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCCCCCCC#CC[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-9-10-11-12-13-14-15-16-18-19(24-21(5,6)23-18)17-22-25(7,8)20(2,3)4/h18-19H,9-13,16-17H2,1-8H3/t18-,19+/m1/s1
InChIKeyUSPJXCGSCSYNBA-MOPGFXCFSA-N
MW368.63 g/mol
LogP5.89
Rot. Bonds8

About tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11089942) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID11089942
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Nametert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCCCCCCC#CC[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-9-10-11-12-13-14-15-16-18-19(24-21(5,6)23-18)17-22-25(7,8)20(2,3)4/h18-19H,9-13,16-17H2,1-8H3/t18-,19+/m1/s1
InChIKeyUSPJXCGSCSYNBA-MOPGFXCFSA-N
XLogP5.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.89
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': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

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(3S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-yn-3-ol
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tert-butyl-[[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
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CID 53360059
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CID 25224031
tert-butyl-[[(4R,5R)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 56600497
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
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(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
CID 164949414
[(4R,5R)-5-[(5S)-5,7-bis(phenylmethoxy)hept-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134978275
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-octanoyl-2H-furan-5-one
CID 10072688

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 11089942) is tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CCCCCCC#CC[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is USPJXCGSCSYNBA-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-9-10-11-12-13-14-15-16-18-19(24-21(5,6)23-18)17-22-25(7,8)20(2,3)4/h18-19H,9-13,16-17H2,1-8H3/t18-,19+/m1/s1.
What are the key properties of tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 368.63 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11089942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).