dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate

C17H34O7Si — CID 90930643

IUPACdimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate
SMILESCOC(=O)C[C@H](O)CC(C[C@@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O7Si/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/h12-14,18-19H,8-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyONFAUDKJQNGKHD-CHWSQXEVSA-N
MW378.54 g/mol
LogP2.01
Rot. Bonds10

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

dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate (PubChem CID 90930643) has the molecular formula C17H34O7Si and a molecular weight of 378.54 g/mol. Its IUPAC name is dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate.

Molecular Properties

Compound Namedimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate
PubChem CID90930643
Molecular FormulaC17H34O7Si
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Namedimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate
SMILESCOC(=O)C[C@H](O)CC(C[C@@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O7Si/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/h12-14,18-19H,8-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyONFAUDKJQNGKHD-CHWSQXEVSA-N
XLogP2.01
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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3-Deoxyaureosurfactin
CID 132551412
(3R,5R)-3-(((3R,5R)-5-(((3R,5R)-3,5-dihydroxydecan oyl)oxy)-3-hydroxydecanoyl)oxy)-5-hydroxydecanoic acid
CID 146682666
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CID 156580427
(3R,5R)-3-(((3R,5R)-3,5-dihydroxy decanoyl)oxy)-5-hydroxydecanoic acid
CID 156580583
3-[5-(3,5-Dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid
CID 45359175
(3S,5RS)-3-Hydroxy-5-methoxytetradecanoic acid
CID 58226384
(5S, 6R) Methyl 5,6-di(tert-butyldimethylsiloxy)-7-hydroxyheptanoate
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CID 11174970

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate?
The IUPAC name of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate (CID 90930643) is dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate.
What is the SMILES notation for dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate?
The canonical SMILES for dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate 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-dihydroxynonanedioate?
The InChIKey is ONFAUDKJQNGKHD-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H34O7Si/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/h12-14,18-19H,8-11H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate?
dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate has a molecular weight of 378.54 g/mol, XLogP of 2.01, 10 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-dihydroxynonanedioate is sourced from PubChem (CID 90930643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).