2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate

C15H30O6Si2 — CID 87900096

IUPAC2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O6Si2/c1-9-10-12(16)15(19,14(18)20-13(17)11(2)3)23(7,8)21-22(4,5)6/h12,16,19H,2,9-10H2,1,3-8H3
InChIKeyKZLLMZSIKIZNNE-UHFFFAOYSA-N
MW362.57 g/mol
LogP2.12
Rot. Bonds8

About 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate

2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate (PubChem CID 87900096) has the molecular formula C15H30O6Si2 and a molecular weight of 362.57 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate
PubChem CID87900096
Molecular FormulaC15H30O6Si2
Molecular Weight362.57 g/mol
Exact Mass362.16
IUPAC Name2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O6Si2/c1-9-10-12(16)15(19,14(18)20-13(17)11(2)3)23(7,8)21-22(4,5)6/h12,16,19H,2,9-10H2,1,3-8H3
InChIKeyKZLLMZSIKIZNNE-UHFFFAOYSA-N
XLogP2.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate?
The IUPAC name of 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate (CID 87900096) is 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate is C=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate?
The InChIKey is KZLLMZSIKIZNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6Si2/c1-9-10-12(16)15(19,14(18)20-13(17)11(2)3)23(7,8)21-22(4,5)6/h12,16,19H,2,9-10H2,1,3-8H3.
What are the key properties of 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate?
2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate has a molecular weight of 362.57 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate is sourced from PubChem (CID 87900096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).