[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate

C19H38O3Si — CID 11427855

IUPAC[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCCCC)OC(C)=O
InChIInChI=1S/C19H38O3Si/c1-9-11-12-14-18(22-16(3)20)17(13-10-2)15-21-23(7,8)19(4,5)6/h10,17-18H,2,9,11-15H2,1,3-8H3/t17-,18-/m0/s1
InChIKeyMXSROIQBLWIKHM-ROUUACIJSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds11

About [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate

[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate (PubChem CID 11427855) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate.

Molecular Properties

Compound Name[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate
PubChem CID11427855
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCCCC)OC(C)=O
InChIInChI=1S/C19H38O3Si/c1-9-11-12-14-18(22-16(3)20)17(13-10-2)15-21-23(7,8)19(4,5)6/h10,17-18H,2,9,11-15H2,1,3-8H3/t17-,18-/m0/s1
InChIKeyMXSROIQBLWIKHM-ROUUACIJSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
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'}

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Related Compounds

[(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyloct-7-enyl] 2,2-dimethylpropanoate
CID 10667904
2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
CID 14636389
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
CID 135015253
[(4R,5S,6R,7S)-5-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethylundec-1-en-4-yl] prop-2-enoate
CID 135016413
[(4R,5S,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylnon-1-en-5-yl] carbonochloridate
CID 135020152
tert-butyl-dimethyl-[(2S,3S)-2-[(2R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
CID 58297750
tert-butyl-dimethyl-[(2S,3S)-2-[(2R,3S)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
CID 59516385
[(1R,2S)-2-[(E,19S,20S)-19-[tert-butyl(dimethyl)silyl]oxy-20-methyloctatriacont-1-enyl]cyclopropyl]methyl butanoate
CID 67233894
[2-[(19S,20S)-19-[tert-butyl(dimethyl)silyl]oxy-20-methyloctatriacont-1-enyl]cyclopropyl]methyl butanoate
CID 67233895
tert-butyl[((1S,2S)-1-ethyl-2-{(2R,3R)-3-[(2S)-2-methylbut-3-en-1-yl]oxiran-2-yl}propyl)oxy]dimethylsilane
CID 86625626
tert-butyl-dimethyl-[(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
CID 87211183

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate?
The IUPAC name of [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate (CID 11427855) is [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate.
What is the SMILES notation for [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate?
The canonical SMILES for [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate is C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCCCC)OC(C)=O.
What is the InChIKey of [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate?
The InChIKey is MXSROIQBLWIKHM-ROUUACIJSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-11-12-14-18(22-16(3)20)17(13-10-2)15-21-23(7,8)19(4,5)6/h10,17-18H,2,9,11-15H2,1,3-8H3/t17-,18-/m0/s1.
What are the key properties of [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate?
[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate is sourced from PubChem (CID 11427855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).