ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate

C23H46O5Si — CID 11080520

IUPACethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@@H]1OC(C)(C)O[C@H]1C[C@H](C)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46O5Si/c1-12-25-22(24)21-20(26-23(10,11)27-21)14-18(8)13-19(9)28-29(15(2)3,16(4)5)17(6)7/h15-21H,12-14H2,1-11H3/t18-,19+,20+,21-/m1/s1
InChIKeyLWRDATHDVLIKGM-IVAOSVALSA-N
MW430.70 g/mol
LogP6.07
Rot. Bonds11

About ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate

ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate (PubChem CID 11080520) has the molecular formula C23H46O5Si and a molecular weight of 430.70 g/mol. Its IUPAC name is ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate
PubChem CID11080520
Molecular FormulaC23H46O5Si
Molecular Weight430.70 g/mol
Exact Mass430.31
IUPAC Nameethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@@H]1OC(C)(C)O[C@H]1C[C@H](C)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46O5Si/c1-12-25-22(24)21-20(26-23(10,11)27-21)14-18(8)13-19(9)28-29(15(2)3,16(4)5)17(6)7/h15-21H,12-14H2,1-11H3/t18-,19+,20+,21-/m1/s1
InChIKeyLWRDATHDVLIKGM-IVAOSVALSA-N
XLogP6.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.70
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate
CID 102150066
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
methyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 134971262
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate
CID 135029963
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,4-dimethylpentan-1-one
CID 21604455
(3aR,7R,8aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]oxepin-4-one
CID 58940513
methyl (4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methoxy-5-methyloxane-2-carboxylate
CID 89715577

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate?
The IUPAC name of ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate (CID 11080520) is ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate?
The canonical SMILES for ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate is CCOC(=O)[C@@H]1OC(C)(C)O[C@H]1C[C@H](C)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate?
The InChIKey is LWRDATHDVLIKGM-IVAOSVALSA-N. The full InChI is InChI=1S/C23H46O5Si/c1-12-25-22(24)21-20(26-23(10,11)27-21)14-18(8)13-19(9)28-29(15(2)3,16(4)5)17(6)7/h15-21H,12-14H2,1-11H3/t18-,19+,20+,21-/m1/s1.
What are the key properties of ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate?
ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate has a molecular weight of 430.70 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 11080520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).