dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate

C13H22O4Si — CID 123523064

IUPACdimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate
SMILESC=C(C)C(=O)OCCCCC(=C)C(=O)O[SiH](C)C
InChIInChI=1S/C13H22O4Si/c1-10(2)12(14)16-9-7-6-8-11(3)13(15)17-18(4)5/h18H,1,3,6-9H2,2,4-5H3
InChIKeyCVXRNKONNYHLLE-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.36
Rot. Bonds8

About dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate

dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate (PubChem CID 123523064) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate.

Molecular Properties

Compound Namedimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate
PubChem CID123523064
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namedimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate
SMILESC=C(C)C(=O)OCCCCC(=C)C(=O)O[SiH](C)C
InChIInChI=1S/C13H22O4Si/c1-10(2)12(14)16-9-7-6-8-11(3)13(15)17-18(4)5/h18H,1,3,6-9H2,2,4-5H3
InChIKeyCVXRNKONNYHLLE-UHFFFAOYSA-N
XLogP2.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate?
The IUPAC name of dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate (CID 123523064) is dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate.
What is the SMILES notation for dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate?
The canonical SMILES for dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate is C=C(C)C(=O)OCCCCC(=C)C(=O)O[SiH](C)C.
What is the InChIKey of dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate?
The InChIKey is CVXRNKONNYHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-10(2)12(14)16-9-7-6-8-11(3)13(15)17-18(4)5/h18H,1,3,6-9H2,2,4-5H3.
What are the key properties of dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate?
dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate has a molecular weight of 270.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 2-methylidene-6-(2-methylprop-2-enoyloxy)hexanoate is sourced from PubChem (CID 123523064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).