dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate

C24H44O9Si — CID 15162943

IUPACdimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
SMILESCOC(=O)CC(=O)C[C@@H](O)CC(C[C@@H](O)CC(=O)CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H44O9Si/c1-15(2)34(16(3)4,17(5)6)33-22(11-18(25)9-20(27)13-23(29)31-7)12-19(26)10-21(28)14-24(30)32-8/h15-19,22,25-26H,9-14H2,1-8H3/t18-,19+,22?
InChIKeyWSEDVELGHWHQHL-QIDMFYOTSA-N
MW504.69 g/mol
LogP3.09
Rot. Bonds17

About dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate

dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate (PubChem CID 15162943) has the molecular formula C24H44O9Si and a molecular weight of 504.69 g/mol. Its IUPAC name is dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate.

Molecular Properties

Compound Namedimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
PubChem CID15162943
Molecular FormulaC24H44O9Si
Molecular Weight504.69 g/mol
Exact Mass504.28
IUPAC Namedimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
SMILESCOC(=O)CC(=O)C[C@@H](O)CC(C[C@@H](O)CC(=O)CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H44O9Si/c1-15(2)34(16(3)4,17(5)6)33-22(11-18(25)9-20(27)13-23(29)31-7)12-19(26)10-21(28)14-24(30)32-8/h15-19,22,25-26H,9-14H2,1-8H3/t18-,19+,22?
InChIKeyWSEDVELGHWHQHL-QIDMFYOTSA-N
XLogP3.09
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.69
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate?
The IUPAC name of dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate (CID 15162943) is dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate.
What is the SMILES notation for dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate?
The canonical SMILES for dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate is COC(=O)CC(=O)C[C@@H](O)CC(C[C@@H](O)CC(=O)CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate?
The InChIKey is WSEDVELGHWHQHL-QIDMFYOTSA-N. The full InChI is InChI=1S/C24H44O9Si/c1-15(2)34(16(3)4,17(5)6)33-22(11-18(25)9-20(27)13-23(29)31-7)12-19(26)10-21(28)14-24(30)32-8/h15-19,22,25-26H,9-14H2,1-8H3/t18-,19+,22?.
What are the key properties of dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate?
dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate has a molecular weight of 504.69 g/mol, XLogP of 3.09, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate is sourced from PubChem (CID 15162943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).