[(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate

C24H48O4Si — CID 10812479

IUPAC[(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate
SMILESC=CCC(O)[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C24H48O4Si/c1-13-14-21(25)20(9)22(19(8)15-27-23(26)24(10,11)12)28-29(16(2)3,17(4)5)18(6)7/h13,16-22,25H,1,14-15H2,2-12H3/t19-,20-,21?,22+/m1/s1
InChIKeyDGHVFRDZOOLFJN-ZTTSMYDPSA-N
MW428.73 g/mol
LogP6.35
Rot. Bonds12

About [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate

[(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate (PubChem CID 10812479) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate
PubChem CID10812479
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Name[(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate
SMILESC=CCC(O)[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C24H48O4Si/c1-13-14-21(25)20(9)22(19(8)15-27-23(26)24(10,11)12)28-29(16(2)3,17(4)5)18(6)7/h13,16-22,25H,1,14-15H2,2-12H3/t19-,20-,21?,22+/m1/s1
InChIKeyDGHVFRDZOOLFJN-ZTTSMYDPSA-N
XLogP6.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 56.35
H-Bond Donors ≤ 51
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

[(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyloct-7-enyl] 2,2-dimethylpropanoate
CID 10667904
(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid
CID 10991561
methyl (E,6S,7R)-7-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]-6-hydroxy-5-methyloct-3-enoate
CID 134970684
(4R,6E,8R,9S,10S,12R,16Z)-8-((tert-butyldimethylsilyl)oxy)-10,12-dihydroxy-6,9-dimethyloctadeca-6,16-dien-4-yl acetate
CID 163319754
[(2S)-2-[(2R,3S)-3-[(2S,3S,4R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyhept-6-en-2-yl]-3-methyloxiran-2-yl]propyl] acetate
CID 57641061
[(2S)-2-[(2R)-3-[(2S,3S,4R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyhept-6-en-2-yl]-3-methyloxiran-2-yl]propyl] acetate
CID 89190696
[(2S)-2-[(2R,3S)-3-[(1S,2S,3R,4S)-2-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-triethylsilyloxyhex-5-enyl]oxiran-2-yl]propyl] acetate
CID 89351701
[(E,3R,4R,5S,6R,9S,10S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-1-iodo-4,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-yl] propanoate
CID 155619149
[(E,3R,4R,5S,6R,9S,10S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-1-iodo-4,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-yl] 2-methylpropanoate
CID 155619172
[(2S)-2-[(2R,3R)-3-[(2S,3S,4R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyhept-6-en-2-yl]-3-methyloxiran-2-yl]propyl] acetate
CID 158056559
[(E)-12-[tert-butyl(dimethyl)silyl]oxy-1-iodo-4,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-yl] 2-methylpropanoate
CID 173887725
[12-[Tert-butyl(dimethyl)silyl]oxy-1-iodo-4,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-yl] 2-methylpropanoate
CID 173887726

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate (CID 10812479) is [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate is C=CCC(O)[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?
The InChIKey is DGHVFRDZOOLFJN-ZTTSMYDPSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-13-14-21(25)20(9)22(19(8)15-27-23(26)24(10,11)12)28-29(16(2)3,17(4)5)18(6)7/h13,16-22,25H,1,14-15H2,2-12H3/t19-,20-,21?,22+/m1/s1.
What are the key properties of [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate?
[(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate has a molecular weight of 428.73 g/mol, XLogP of 6.35, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10812479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).