(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one

C28H40O4Si — CID 154446767

IUPAC(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one
SMILESCCCCCC[C@H]1C(=O)OC(C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C28H40O4Si/c1-6-7-8-15-20-24-25(29)28(5,32-26(24)30)21-31-33(27(2,3)4,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h9-14,16-19,24-25,29H,6-8,15,20-21H2,1-5H3/t24-,25-,28?/m1/s1
InChIKeyBWACBQSLVURLBV-RCUHSBBRSA-N
MW468.71 g/mol
LogP4.83
Rot. Bonds10

About (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one

(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one (PubChem CID 154446767) has the molecular formula C28H40O4Si and a molecular weight of 468.71 g/mol. Its IUPAC name is (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one
PubChem CID154446767
Molecular FormulaC28H40O4Si
Molecular Weight468.71 g/mol
Exact Mass468.27
IUPAC Name(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one
SMILESCCCCCC[C@H]1C(=O)OC(C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C28H40O4Si/c1-6-7-8-15-20-24-25(29)28(5,32-26(24)30)21-31-33(27(2,3)4,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h9-14,16-19,24-25,29H,6-8,15,20-21H2,1-5H3/t24-,25-,28?/m1/s1
InChIKeyBWACBQSLVURLBV-RCUHSBBRSA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
CID 50915521
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827420
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
3-[4-(4-pentylcyclohexyl)cyclohexyl]propyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827410
(3S,5R,7S,7aR,11aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hexyl-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinolin-7-ol
CID 16719799
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one?
The IUPAC name of (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one (CID 154446767) is (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one is CCCCCC[C@H]1C(=O)OC(C)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one?
The InChIKey is BWACBQSLVURLBV-RCUHSBBRSA-N. The full InChI is InChI=1S/C28H40O4Si/c1-6-7-8-15-20-24-25(29)28(5,32-26(24)30)21-31-33(27(2,3)4,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h9-14,16-19,24-25,29H,6-8,15,20-21H2,1-5H3/t24-,25-,28?/m1/s1.
What are the key properties of (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one?
(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one has a molecular weight of 468.71 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 154446767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).