methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate

C24H46O8Si — CID 89133097

IUPACmethyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate
SMILESCOC(=O)[C@H](O)[C@](O)(C=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](CC(C)CC(C)C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C24H46O8Si/c1-15(2)11-16(3)12-17(13-22(4,5)33(9,10)29)18-20(32-23(6,7)31-18)24(28,14-25)19(26)21(27)30-8/h14-20,26,28-29H,11-13H2,1-10H3/t16?,17-,18+,19+,20-,24-/m1/s1
InChIKeyIAIBDMJTSIKBII-VNLGDWIBSA-N
MW490.71 g/mol
LogP3.03
Rot. Bonds12

About methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate

methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate (PubChem CID 89133097) has the molecular formula C24H46O8Si and a molecular weight of 490.71 g/mol. Its IUPAC name is methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate
PubChem CID89133097
Molecular FormulaC24H46O8Si
Molecular Weight490.71 g/mol
Exact Mass490.30
IUPAC Namemethyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate
SMILESCOC(=O)[C@H](O)[C@](O)(C=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](CC(C)CC(C)C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C24H46O8Si/c1-15(2)11-16(3)12-17(13-22(4,5)33(9,10)29)18-20(32-23(6,7)31-18)24(28,14-25)19(26)21(27)30-8/h14-20,26,28-29H,11-13H2,1-10H3/t16?,17-,18+,19+,20-,24-/m1/s1
InChIKeyIAIBDMJTSIKBII-VNLGDWIBSA-N
XLogP3.03
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.71
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate?
The IUPAC name of methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate (CID 89133097) is methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate.
What is the SMILES notation for methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate?
The canonical SMILES for methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate is COC(=O)[C@H](O)[C@](O)(C=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](CC(C)CC(C)C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate?
The InChIKey is IAIBDMJTSIKBII-VNLGDWIBSA-N. The full InChI is InChI=1S/C24H46O8Si/c1-15(2)11-16(3)12-17(13-22(4,5)33(9,10)29)18-20(32-23(6,7)31-18)24(28,14-25)19(26)21(27)30-8/h14-20,26,28-29H,11-13H2,1-10H3/t16?,17-,18+,19+,20-,24-/m1/s1.
What are the key properties of methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate?
methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate has a molecular weight of 490.71 g/mol, XLogP of 3.03, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2,3-dihydroxy-3-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate is sourced from PubChem (CID 89133097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).