2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate

C17H36O7Si3 — CID 87238021

IUPAC2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O7Si3/c1-11-12-14(18)17(21,16(20)22-15(19)13(2)3)27(10,23-25(4,5)6)24-26(7,8)9/h14,18,21H,2,11-12H2,1,3-10H3
InChIKeyMEOZIGNECINTJE-UHFFFAOYSA-N
MW436.73 g/mol
LogP2.84
Rot. Bonds10

About 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate

2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate (PubChem CID 87238021) has the molecular formula C17H36O7Si3 and a molecular weight of 436.73 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
PubChem CID87238021
Molecular FormulaC17H36O7Si3
Molecular Weight436.73 g/mol
Exact Mass436.18
IUPAC Name2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O7Si3/c1-11-12-14(18)17(21,16(20)22-15(19)13(2)3)27(10,23-25(4,5)6)24-26(7,8)9/h14,18,21H,2,11-12H2,1,3-10H3
InChIKeyMEOZIGNECINTJE-UHFFFAOYSA-N
XLogP2.84
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
The IUPAC name of 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate (CID 87238021) is 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate is C=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
The InChIKey is MEOZIGNECINTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O7Si3/c1-11-12-14(18)17(21,16(20)22-15(19)13(2)3)27(10,23-25(4,5)6)24-26(7,8)9/h14,18,21H,2,11-12H2,1,3-10H3.
What are the key properties of 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate has a molecular weight of 436.73 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate is sourced from PubChem (CID 87238021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).