(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid

C20H38O6Si — CID 139260455

IUPAC(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](/C=C/C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O6Si/c1-13(2)11-12-14(26-27(9,10)19(3,4)5)15-16(17(23-8)18(21)22)25-20(6,7)24-15/h11-17H,1-10H3,(H,21,22)/b12-11+/t14-,15+,16-,17-/m1/s1
InChIKeyKNEWRXZXMZOGOU-UBXDWVQHSA-N
MW402.60 g/mol
LogP4.21
Rot. Bonds8

About (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid

(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid (PubChem CID 139260455) has the molecular formula C20H38O6Si and a molecular weight of 402.60 g/mol. Its IUPAC name is (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
PubChem CID139260455
Molecular FormulaC20H38O6Si
Molecular Weight402.60 g/mol
Exact Mass402.24
IUPAC Name(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](/C=C/C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O6Si/c1-13(2)11-12-14(26-27(9,10)19(3,4)5)15-16(17(23-8)18(21)22)25-20(6,7)24-15/h11-17H,1-10H3,(H,21,22)/b12-11+/t14-,15+,16-,17-/m1/s1
InChIKeyKNEWRXZXMZOGOU-UBXDWVQHSA-N
XLogP4.21
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate
CID 10886582
(E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoic acid
CID 11135683
(6E,8S,9S,11Z)-9-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadeca-6,11-dienoic acid
CID 10792512
(2R)-2-[(4R,5S)-5-[(E,1R)-1-acetyloxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
CID 10903630
methyl (Z,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate
CID 11006552
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11012955
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
CID 11530591
(2R)-2-[(4S,5R)-5-[(E,1R)-1-acetyloxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
CID 15038160
(6E,8S,9R,11Z)-9-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadeca-6,11-dienoic acid
CID 16054529
(6E,11Z)-9-acetyl-5-[tert-butyl(dimethyl)silyl]oxy-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadeca-6,11-dienoic acid
CID 100959403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid?
The IUPAC name of (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid (CID 139260455) is (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid.
What is the SMILES notation for (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid?
The canonical SMILES for (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid is CO[C@@H](C(=O)O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](/C=C/C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid?
The InChIKey is KNEWRXZXMZOGOU-UBXDWVQHSA-N. The full InChI is InChI=1S/C20H38O6Si/c1-13(2)11-12-14(26-27(9,10)19(3,4)5)15-16(17(23-8)18(21)22)25-20(6,7)24-15/h11-17H,1-10H3,(H,21,22)/b12-11+/t14-,15+,16-,17-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid?
(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid has a molecular weight of 402.60 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid is sourced from PubChem (CID 139260455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).