2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate

C13H24O5Si — CID 87900184

IUPAC2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(C)C
InChIInChI=1S/C13H24O5Si/c1-7-8-10(14)13(17,19(4,5)6)12(16)18-11(15)9(2)3/h10,14,17H,2,7-8H2,1,3-6H3
InChIKeyASUFGLVETGKERR-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.40
Rot. Bonds6

About 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate

2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate (PubChem CID 87900184) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate
PubChem CID87900184
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(C)C
InChIInChI=1S/C13H24O5Si/c1-7-8-10(14)13(17,19(4,5)6)12(16)18-11(15)9(2)3/h10,14,17H,2,7-8H2,1,3-6H3
InChIKeyASUFGLVETGKERR-UHFFFAOYSA-N
XLogP1.40
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-trimethylsilylhexanoate?
The IUPAC name of 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate (CID 87900184) is 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate is C=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate?
The InChIKey is ASUFGLVETGKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-7-8-10(14)13(17,19(4,5)6)12(16)18-11(15)9(2)3/h10,14,17H,2,7-8H2,1,3-6H3.
What are the key properties of 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate?
2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate has a molecular weight of 288.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2,3-dihydroxy-2-trimethylsilylhexanoate is sourced from PubChem (CID 87900184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).