propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate

C19H44O7Si4 — CID 87490540

IUPACpropyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate
SMILESC=C(C(=O)OCCC)C(CC(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H44O7Si4/c1-12-13-23-19(22)16(2)18(14-17(21)15-20)30(24-27(3,4)5,25-28(6,7)8)26-29(9,10)11/h17-18,20-21H,2,12-15H2,1,3-11H3
InChIKeySNTNKDTYROQADK-UHFFFAOYSA-N
MW496.90 g/mol
LogP4.10
Rot. Bonds14

About propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate

propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate (PubChem CID 87490540) has the molecular formula C19H44O7Si4 and a molecular weight of 496.90 g/mol. Its IUPAC name is propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate.

Molecular Properties

Compound Namepropyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate
PubChem CID87490540
Molecular FormulaC19H44O7Si4
Molecular Weight496.90 g/mol
Exact Mass496.22
IUPAC Namepropyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate
SMILESC=C(C(=O)OCCC)C(CC(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H44O7Si4/c1-12-13-23-19(22)16(2)18(14-17(21)15-20)30(24-27(3,4)5,25-28(6,7)8)26-29(9,10)11/h17-18,20-21H,2,12-15H2,1,3-11H3
InChIKeySNTNKDTYROQADK-UHFFFAOYSA-N
XLogP4.10
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate?
The IUPAC name of propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate (CID 87490540) is propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate.
What is the SMILES notation for propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate?
The canonical SMILES for propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate is C=C(C(=O)OCCC)C(CC(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate?
The InChIKey is SNTNKDTYROQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44O7Si4/c1-12-13-23-19(22)16(2)18(14-17(21)15-20)30(24-27(3,4)5,25-28(6,7)8)26-29(9,10)11/h17-18,20-21H,2,12-15H2,1,3-11H3.
What are the key properties of propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate?
propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate has a molecular weight of 496.90 g/mol, XLogP of 4.10, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate is sourced from PubChem (CID 87490540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).