[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate

C26H52O5Si2 — CID 25267461

IUPAC[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate
SMILESC=CC[C@]1(CO[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)CCCCC
InChIInChI=1S/C26H52O5Si2/c1-13-15-16-17-22(27)30-23-21(31-33(11,12)25(6,7)8)19-28-26(23,18-14-2)20-29-32(9,10)24(3,4)5/h14,21,23H,2,13,15-20H2,1,3-12H3/t21-,23+,26-/m1/s1
InChIKeyKCOWGHHPTTZKBL-VIICAESSSA-N
MW500.87 g/mol
LogP7.24
Rot. Bonds12

About [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate

[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate (PubChem CID 25267461) has the molecular formula C26H52O5Si2 and a molecular weight of 500.87 g/mol. Its IUPAC name is [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate.

Molecular Properties

Compound Name[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate
PubChem CID25267461
Molecular FormulaC26H52O5Si2
Molecular Weight500.87 g/mol
Exact Mass500.34
IUPAC Name[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate
SMILESC=CC[C@]1(CO[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)CCCCC
InChIInChI=1S/C26H52O5Si2/c1-13-15-16-17-22(27)30-23-21(31-33(11,12)25(6,7)8)19-28-26(23,18-14-2)20-29-32(9,10)24(3,4)5/h14,21,23H,2,13,15-20H2,1,3-12H3/t21-,23+,26-/m1/s1
InChIKeyKCOWGHHPTTZKBL-VIICAESSSA-N
XLogP7.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.87
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate
CID 10767662
(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 10828947
[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11027689
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 53381042
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-2-one
CID 101860139
[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-2-yl] acetate
CID 101860153

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate?
The IUPAC name of [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate (CID 25267461) is [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate.
What is the SMILES notation for [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate?
The canonical SMILES for [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate is C=CC[C@]1(CO[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)CCCCC.
What is the InChIKey of [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate?
The InChIKey is KCOWGHHPTTZKBL-VIICAESSSA-N. The full InChI is InChI=1S/C26H52O5Si2/c1-13-15-16-17-22(27)30-23-21(31-33(11,12)25(6,7)8)19-28-26(23,18-14-2)20-29-32(9,10)24(3,4)5/h14,21,23H,2,13,15-20H2,1,3-12H3/t21-,23+,26-/m1/s1.
What are the key properties of [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate?
[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate has a molecular weight of 500.87 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl] hexanoate is sourced from PubChem (CID 25267461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).