[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate

C26H52O4Si2 — CID 10696242

IUPAC[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
SMILESC=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O4Si2/c1-16-18-26(19-17-2,30-32(14,15)25(9,10)11)21(20-28-22(27)23(3,4)5)29-31(12,13)24(6,7)8/h16-17,21H,1-2,18-20H2,3-15H3/t21-/m1/s1
InChIKeyPFKKKUKRNXNBKS-OAQYLSRUSA-N
MW484.87 g/mol
LogP7.88
Rot. Bonds11

About [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate

[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 10696242) has the molecular formula C26H52O4Si2 and a molecular weight of 484.87 g/mol. Its IUPAC name is [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
PubChem CID10696242
Molecular FormulaC26H52O4Si2
Molecular Weight484.87 g/mol
Exact Mass484.34
IUPAC Name[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
SMILESC=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O4Si2/c1-16-18-26(19-17-2,30-32(14,15)25(9,10)11)21(20-28-22(27)23(3,4)5)29-31(12,13)24(6,7)8/h16-17,21H,1-2,18-20H2,3-15H3/t21-/m1/s1
InChIKeyPFKKKUKRNXNBKS-OAQYLSRUSA-N
XLogP7.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

(4R)-1-Acetoxy-4-(tert-butyldimethylsilyloxy)-5-pivaloyloxyhexene
CID 134780043
[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate
CID 10767662
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
CID 10785649
[(E,2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodopent-4-enyl] 2,2-dimethylpropanoate
CID 11699666
[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11794464
[(E,2R,3S)-2-methyl-2,3-bis(triethylsilyloxy)hex-4-enyl] 2,2-dimethylpropanoate
CID 49844055
[(E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodopent-4-enyl] 2,2-dimethylpropanoate
CID 101375160
[(E,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
CID 101624463
[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 102277375
[(3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
CID 177841836

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate (CID 10696242) is [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate is C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is PFKKKUKRNXNBKS-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H52O4Si2/c1-16-18-26(19-17-2,30-32(14,15)25(9,10)11)21(20-28-22(27)23(3,4)5)29-31(12,13)24(6,7)8/h16-17,21H,1-2,18-20H2,3-15H3/t21-/m1/s1.
What are the key properties of [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate?
[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 484.87 g/mol, XLogP of 7.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10696242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).