dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate

C17H32O7Si — CID 91064170

IUPACdimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate
SMILESCOC(=O)C[C@H](O)CC(=C[C@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O7Si/c1-17(2,3)25(6,7)24-14(8-12(18)10-15(20)22-4)9-13(19)11-16(21)23-5/h8,12-13,18-19H,9-11H2,1-7H3/t12-,13+/m0/s1
InChIKeyKJGUKBNTUOLOHT-QWHCGFSZSA-N
MW376.52 g/mol
LogP2.13
Rot. Bonds9

About dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate

dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate (PubChem CID 91064170) has the molecular formula C17H32O7Si and a molecular weight of 376.52 g/mol. Its IUPAC name is dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate.

Molecular Properties

Compound Namedimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate
PubChem CID91064170
Molecular FormulaC17H32O7Si
Molecular Weight376.52 g/mol
Exact Mass376.19
IUPAC Namedimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate
SMILESCOC(=O)C[C@H](O)CC(=C[C@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O7Si/c1-17(2,3)25(6,7)24-14(8-12(18)10-15(20)22-4)9-13(19)11-16(21)23-5/h8,12-13,18-19H,9-11H2,1-7H3/t12-,13+/m0/s1
InChIKeyKJGUKBNTUOLOHT-QWHCGFSZSA-N
XLogP2.13
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate 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

(2R,4S,5E,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11091533
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
(Z,3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioic acid
CID 87900781
(Z,3S,7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioic acid
CID 87900962
dimethyl (3S,7S)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate
CID 90768108
methyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10266145
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
CID 10547161
ethyl (Z)-6-hydroxy-4-methyl-3-triethylsilyloxyhex-4-enoate
CID 11601886
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 11724222

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate?
The IUPAC name of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate (CID 91064170) is dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate.
What is the SMILES notation for dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate?
The canonical SMILES for dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate is COC(=O)C[C@H](O)CC(=C[C@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate?
The InChIKey is KJGUKBNTUOLOHT-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H32O7Si/c1-17(2,3)25(6,7)24-14(8-12(18)10-15(20)22-4)9-13(19)11-16(21)23-5/h8,12-13,18-19H,9-11H2,1-7H3/t12-,13+/m0/s1.
What are the key properties of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate?
dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate has a molecular weight of 376.52 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynon-4-enedioate is sourced from PubChem (CID 91064170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).