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

C22H52O10Si6 — CID 87900166

IUPACprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=CC(=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/C22H52O10Si6/c1-16-18-19(23)22(26,21(25)27-20(24)17-2)38(30-35(9,10)11,31-36(12,13)14)32-37(15,28-33(3,4)5)29-34(6,7)8/h17,19,23,26H,2,16,18H2,1,3-15H3
InChIKeyJBVULOVANCGDHX-UHFFFAOYSA-N
MW645.16 g/mol
LogP4.60
Rot. Bonds16

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

prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate (PubChem CID 87900166) has the molecular formula C22H52O10Si6 and a molecular weight of 645.16 g/mol. Its IUPAC name is prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
PubChem CID87900166
Molecular FormulaC22H52O10Si6
Molecular Weight645.16 g/mol
Exact Mass644.22
IUPAC Nameprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=CC(=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/C22H52O10Si6/c1-16-18-19(23)22(26,21(25)27-20(24)17-2)38(30-35(9,10)11,31-36(12,13)14)32-37(15,28-33(3,4)5)29-34(6,7)8/h17,19,23,26H,2,16,18H2,1,3-15H3
InChIKeyJBVULOVANCGDHX-UHFFFAOYSA-N
XLogP4.60
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.16
LogP ≤ 54.60
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 prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
The IUPAC name of prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate (CID 87900166) is prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate.
What is the SMILES notation for prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
The canonical SMILES for prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate 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)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
The InChIKey is JBVULOVANCGDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52O10Si6/c1-16-18-19(23)22(26,21(25)27-20(24)17-2)38(30-35(9,10)11,31-36(12,13)14)32-37(15,28-33(3,4)5)29-34(6,7)8/h17,19,23,26H,2,16,18H2,1,3-15H3.
What are the key properties of prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate?
prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate has a molecular weight of 645.16 g/mol, XLogP of 4.60, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate is sourced from PubChem (CID 87900166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).