prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate

C18H40O8Si4 — CID 87900055

IUPACprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
SMILESC=CC(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H40O8Si4/c1-12-14-15(19)18(22,17(21)23-16(20)13-2)30(24-27(3,4)5,25-28(6,7)8)26-29(9,10)11/h13,15,19,22H,2,12,14H2,1,3-11H3
InChIKeyGRACNOGDPNTKEH-UHFFFAOYSA-N
MW496.85 g/mol
LogP3.17
Rot. Bonds12

About prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate

prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate (PubChem CID 87900055) has the molecular formula C18H40O8Si4 and a molecular weight of 496.85 g/mol. Its IUPAC name is prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
PubChem CID87900055
Molecular FormulaC18H40O8Si4
Molecular Weight496.85 g/mol
Exact Mass496.18
IUPAC Nameprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
SMILESC=CC(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H40O8Si4/c1-12-14-15(19)18(22,17(21)23-16(20)13-2)30(24-27(3,4)5,25-28(6,7)8)26-29(9,10)11/h13,15,19,22H,2,12,14H2,1,3-11H3
InChIKeyGRACNOGDPNTKEH-UHFFFAOYSA-N
XLogP3.17
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
The IUPAC name of prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate (CID 87900055) is prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate.
What is the SMILES notation for prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
The canonical SMILES for prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate is C=CC(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
The InChIKey is GRACNOGDPNTKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O8Si4/c1-12-14-15(19)18(22,17(21)23-16(20)13-2)30(24-27(3,4)5,25-28(6,7)8)26-29(9,10)11/h13,15,19,22H,2,12,14H2,1,3-11H3.
What are the key properties of prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate has a molecular weight of 496.85 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate is sourced from PubChem (CID 87900055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).