[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate

C19H38O3Si — CID 71489918

IUPAC[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate
SMILESC=C(C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(C)=O
InChIInChI=1S/C19H38O3Si/c1-13(2)11-19(17(9)12-21-18(10)20)22-23(14(3)4,15(5)6)16(7)8/h14-17,19H,1,11-12H2,2-10H3/t17-,19-/m1/s1
InChIKeyLQKCWADDJIDDFI-IEBWSBKVSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds10

About [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate

[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate (PubChem CID 71489918) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate
PubChem CID71489918
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate
SMILESC=C(C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(C)=O
InChIInChI=1S/C19H38O3Si/c1-13(2)11-19(17(9)12-21-18(10)20)22-23(14(3)4,15(5)6)16(7)8/h14-17,19H,1,11-12H2,2-10H3/t17-,19-/m1/s1
InChIKeyLQKCWADDJIDDFI-IEBWSBKVSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 10875838
[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11233669
[(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]dec-1-en-5-yl] acetate
CID 11427855
[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
CID 11609129
[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11794464
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 15442530
[(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hexadec-1-en-5-yl] acetate
CID 17747696
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
CID 24862361
[(5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
CID 101843190

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate?
The IUPAC name of [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate (CID 71489918) is [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate.
What is the SMILES notation for [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate?
The canonical SMILES for [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate is C=C(C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(C)=O.
What is the InChIKey of [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate?
The InChIKey is LQKCWADDJIDDFI-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-13(2)11-19(17(9)12-21-18(10)20)22-23(14(3)4,15(5)6)16(7)8/h14-17,19H,1,11-12H2,2-10H3/t17-,19-/m1/s1.
What are the key properties of [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate?
[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate is sourced from PubChem (CID 71489918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).