[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate

C27H54O4Si2 — CID 10767662

IUPAC[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate
SMILESC=CCC(CC=C)(C[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O4Si2/c1-16-18-27(19-17-2,31-33(14,15)26(9,10)11)20-22(21-29-23(28)24(3,4)5)30-32(12,13)25(6,7)8/h16-17,22H,1-2,18-21H2,3-15H3/t22-/m0/s1
InChIKeyWLZNSSCLHYGWIH-QFIPXVFZSA-N
MW498.90 g/mol
LogP8.27
Rot. Bonds12

About [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate

[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate (PubChem CID 10767662) has the molecular formula C27H54O4Si2 and a molecular weight of 498.90 g/mol. Its IUPAC name is [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate
PubChem CID10767662
Molecular FormulaC27H54O4Si2
Molecular Weight498.90 g/mol
Exact Mass498.36
IUPAC Name[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate
SMILESC=CCC(CC=C)(C[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O4Si2/c1-16-18-27(19-17-2,31-33(14,15)26(9,10)11)20-22(21-29-23(28)24(3,4)5)30-32(12,13)25(6,7)8/h16-17,22H,1-2,18-21H2,3-15H3/t22-/m0/s1
InChIKeyWLZNSSCLHYGWIH-QFIPXVFZSA-N
XLogP8.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 58.27
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'}

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Related Compounds

3-[(4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-4-yl]oxypropyl 2,2-dimethylpropanoate
CID 89751233
3-[(3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-4-yl]oxypropyl 2,2-dimethylpropanoate
CID 173582253
[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
CID 10696242
[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
CID 11609129
[(2R,3S,5R,7S,9S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltridec-12-enyl] 2,2-dimethylpropanoate
CID 11786726
[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate
CID 25267461
[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
CID 71504119
[(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 [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate (CID 10767662) is [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate is C=CCC(CC=C)(C[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate?
The InChIKey is WLZNSSCLHYGWIH-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H54O4Si2/c1-16-18-27(19-17-2,31-33(14,15)26(9,10)11)20-22(21-29-23(28)24(3,4)5)30-32(12,13)25(6,7)8/h16-17,22H,1-2,18-21H2,3-15H3/t22-/m0/s1.
What are the key properties of [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate?
[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate has a molecular weight of 498.90 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10767662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).