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

C16H34O7Si3 — CID 87900222

IUPACprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=CC(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O7Si3/c1-10-12-13(17)16(20,15(19)21-14(18)11-2)26(9,22-24(3,4)5)23-25(6,7)8/h11,13,17,20H,2,10,12H2,1,3-9H3
InChIKeyAEJZRPMRYDTQQS-UHFFFAOYSA-N
MW422.70 g/mol
LogP2.45
Rot. Bonds10

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

prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate (PubChem CID 87900222) has the molecular formula C16H34O7Si3 and a molecular weight of 422.70 g/mol. Its IUPAC name is prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
PubChem CID87900222
Molecular FormulaC16H34O7Si3
Molecular Weight422.70 g/mol
Exact Mass422.16
IUPAC Nameprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
SMILESC=CC(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O7Si3/c1-10-12-13(17)16(20,15(19)21-14(18)11-2)26(9,22-24(3,4)5)23-25(6,7)8/h11,13,17,20H,2,10,12H2,1,3-9H3
InChIKeyAEJZRPMRYDTQQS-UHFFFAOYSA-N
XLogP2.45
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 52.45
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 prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
The IUPAC name of prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate (CID 87900222) is prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate.
What is the SMILES notation for prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
The canonical SMILES for prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate is C=CC(=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 prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
The InChIKey is AEJZRPMRYDTQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7Si3/c1-10-12-13(17)16(20,15(19)21-14(18)11-2)26(9,22-24(3,4)5)23-25(6,7)8/h11,13,17,20H,2,10,12H2,1,3-9H3.
What are the key properties of prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate?
prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate has a molecular weight of 422.70 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate is sourced from PubChem (CID 87900222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).