methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate

C20H38O7Si — CID 177396999

IUPACmethyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate
SMILESCOC(=O)[C@@H](O)[C@H](O)C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H38O7Si/c1-13(10-11-14(21)16(22)18(23)24-7)17(15-12-25-20(5,6)26-15)27-28(8,9)19(2,3)4/h10-11,13-17,21-22H,12H2,1-9H3/t13-,14-,15-,16+,17-/m1/s1
InChIKeyAWZKOTRVEVXHBW-OVYGPGRDSA-N
MW418.60 g/mol
LogP2.62
Rot. Bonds8

About methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate

methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate (PubChem CID 177396999) has the molecular formula C20H38O7Si and a molecular weight of 418.60 g/mol. Its IUPAC name is methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate.

Molecular Properties

Compound Namemethyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate
PubChem CID177396999
Molecular FormulaC20H38O7Si
Molecular Weight418.60 g/mol
Exact Mass418.24
IUPAC Namemethyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate
SMILESCOC(=O)[C@@H](O)[C@H](O)C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H38O7Si/c1-13(10-11-14(21)16(22)18(23)24-7)17(15-12-25-20(5,6)26-15)27-28(8,9)19(2,3)4/h10-11,13-17,21-22H,12H2,1-9H3/t13-,14-,15-,16+,17-/m1/s1
InChIKeyAWZKOTRVEVXHBW-OVYGPGRDSA-N
XLogP2.62
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-3-[(E,1R,4R,8S)-1-hydroxy-4,8-dimethyl-9-tri(propan-2-yl)silyloxynon-2-enyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
CID 134945978
(E,2S,3R)-3-hydroxy-7-(2-methoxyethoxymethoxy)-7-methyl-2-[(1R)-1-trimethylsilylethyl]oct-4-enoic acid
CID 10619569
2-trimethylsilylethyl (E,2S,3R)-3-hydroxy-7-(2-methoxyethoxymethoxy)-7-methyl-2-[(1R)-1-trimethylsilylethyl]oct-4-enoate
CID 10719391
methyl (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-triethylsilyl-3-triethylsilyloxyhexa-1,5-diynyl]-2-hydroxycyclopent-3-ene-1-carboxylate
CID 10974478
methyl (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-triethylsilyl-3-triethylsilyloxyhexa-1,5-diynyl]-2-hydroxycyclopent-3-ene-1-carboxylate
CID 11767647
(3R,5S,6S)-3-[(E,1R,4R,8S)-1-hydroxy-4,8-dimethyl-9-tri(propan-2-yl)silyloxynon-2-enyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
CID 56957603
ethyl (E,2S,3R,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3-dihydroxyoct-4-enoate
CID 132603549
(2S,3S,6R)-2-[(1R)-1,2-dihydroxyethyl]-3-methyl-6-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-oxepin-7-one
CID 168329388
(2R,3R,6S)-2-[(1R)-1,2-dihydroxyethyl]-3-methyl-6-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-oxepin-7-one
CID 168329393
methyl (2R,3S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate
CID 177452359

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate?
The IUPAC name of methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate (CID 177396999) is methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate.
What is the SMILES notation for methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate?
The canonical SMILES for methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate is COC(=O)[C@@H](O)[C@H](O)C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate?
The InChIKey is AWZKOTRVEVXHBW-OVYGPGRDSA-N. The full InChI is InChI=1S/C20H38O7Si/c1-13(10-11-14(21)16(22)18(23)24-7)17(15-12-25-20(5,6)26-15)27-28(8,9)19(2,3)4/h10-11,13-17,21-22H,12H2,1-9H3/t13-,14-,15-,16+,17-/m1/s1.
What are the key properties of methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate?
methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate has a molecular weight of 418.60 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-6-methylhept-4-enoate is sourced from PubChem (CID 177396999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).