3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate

C16H26O4Si — CID 123911493

IUPAC3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1C(=O)C(C)([SiH3])C(=O)CC1(C)C
InChIInChI=1S/C16H26O4Si/c1-10(2)14(19)20-8-6-7-11-13(18)16(5,21)12(17)9-15(11,3)4/h11H,1,6-9H2,2-5,21H3
InChIKeyBWYAOMZDRNWAGO-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.61
Rot. Bonds5

About 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate

3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate (PubChem CID 123911493) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate
PubChem CID123911493
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1C(=O)C(C)([SiH3])C(=O)CC1(C)C
InChIInChI=1S/C16H26O4Si/c1-10(2)14(19)20-8-6-7-11-13(18)16(5,21)12(17)9-15(11,3)4/h11H,1,6-9H2,2-5,21H3
InChIKeyBWYAOMZDRNWAGO-UHFFFAOYSA-N
XLogP1.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[(4S)-4,5-dimethyl-2-(2-oxobutyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 89091481
5,5-Dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate
CID 173051871
Ethyl 2,2-dimethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl]-4,6-dioxocyclohexane-1-carboxylate
CID 11667502
ethyl 2-[[(1S,6S)-1-methyl-2-oxo-6-propan-2-ylcyclohexyl]methyl]prop-2-enoate
CID 102220922

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate (CID 123911493) is 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC1C(=O)C(C)([SiH3])C(=O)CC1(C)C.
What is the InChIKey of 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
The InChIKey is BWYAOMZDRNWAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-10(2)14(19)20-8-6-7-11-13(18)16(5,21)12(17)9-15(11,3)4/h11H,1,6-9H2,2-5,21H3.
What are the key properties of 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate has a molecular weight of 310.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 123911493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).