5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid

C17H38O6Si3 — CID 54146605

IUPAC5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid
SMILESC=C(C(=O)O)C(CCC)(CC(O)CO)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O6Si3/c1-10-11-17(12-15(19)13-18,14(2)16(20)21)26(9,22-24(3,4)5)23-25(6,7)8/h15,18-19H,2,10-13H2,1,3-9H3,(H,20,21)
InChIKeyOEVCTNZHMKEDIF-UHFFFAOYSA-N
MW422.74 g/mol
LogP3.69
Rot. Bonds12

About 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid

5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid (PubChem CID 54146605) has the molecular formula C17H38O6Si3 and a molecular weight of 422.74 g/mol. Its IUPAC name is 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid.

Molecular Properties

Compound Name5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid
PubChem CID54146605
Molecular FormulaC17H38O6Si3
Molecular Weight422.74 g/mol
Exact Mass422.20
IUPAC Name5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid
SMILESC=C(C(=O)O)C(CCC)(CC(O)CO)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O6Si3/c1-10-11-17(12-15(19)13-18,14(2)16(20)21)26(9,22-24(3,4)5)23-25(6,7)8/h15,18-19H,2,10-13H2,1,3-9H3,(H,20,21)
InChIKeyOEVCTNZHMKEDIF-UHFFFAOYSA-N
XLogP3.69
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid?
The IUPAC name of 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid (CID 54146605) is 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid.
What is the SMILES notation for 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid?
The canonical SMILES for 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid is C=C(C(=O)O)C(CCC)(CC(O)CO)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid?
The InChIKey is OEVCTNZHMKEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O6Si3/c1-10-11-17(12-15(19)13-18,14(2)16(20)21)26(9,22-24(3,4)5)23-25(6,7)8/h15,18-19H,2,10-13H2,1,3-9H3,(H,20,21).
What are the key properties of 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid?
5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid has a molecular weight of 422.74 g/mol, XLogP of 3.69, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidene-3-propylhexanoic acid is sourced from PubChem (CID 54146605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).