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

C23H54O10Si6 — CID 87900034

IUPAC2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H54O10Si6/c1-17-18-20(24)23(27,22(26)28-21(25)19(2)3)39(31-36(10,11)12,32-37(13,14)15)33-38(16,29-34(4,5)6)30-35(7,8)9/h20,24,27H,2,17-18H2,1,3-16H3
InChIKeyOZPVMNYWGADMCV-UHFFFAOYSA-N
MW659.19 g/mol
LogP4.99
Rot. Bonds16

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

2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate (PubChem CID 87900034) has the molecular formula C23H54O10Si6 and a molecular weight of 659.19 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
PubChem CID87900034
Molecular FormulaC23H54O10Si6
Molecular Weight659.19 g/mol
Exact Mass658.23
IUPAC Name2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H54O10Si6/c1-17-18-20(24)23(27,22(26)28-21(25)19(2)3)39(31-36(10,11)12,32-37(13,14)15)33-38(16,29-34(4,5)6)30-35(7,8)9/h20,24,27H,2,17-18H2,1,3-16H3
InChIKeyOZPVMNYWGADMCV-UHFFFAOYSA-N
XLogP4.99
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.19
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
The IUPAC name of 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate (CID 87900034) is 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate is C=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[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]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
The InChIKey is OZPVMNYWGADMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O10Si6/c1-17-18-20(24)23(27,22(26)28-21(25)19(2)3)39(31-36(10,11)12,32-37(13,14)15)33-38(16,29-34(4,5)6)30-35(7,8)9/h20,24,27H,2,17-18H2,1,3-16H3.
What are the key properties of 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate has a molecular weight of 659.19 g/mol, XLogP of 4.99, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate is sourced from PubChem (CID 87900034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).