5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate

C24H38O6Si — CID 173051871

IUPAC5,5-dimethylcyclohexane-1,3-dione;3-(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.CC1(C)CC(=O)CC(=O)C1
InChIInChI=1S/C16H26O4Si.C8H12O2/c1-10(2)14(19)20-8-6-7-11-13(18)16(5,21)12(17)9-15(11,3)4;1-8(2)4-6(9)3-7(10)5-8/h11H,1,6-9H2,2-5,21H3;3-5H2,1-2H3
InChIKeyFPOXNBIUBQXXHR-UHFFFAOYSA-N
MW450.65 g/mol
LogP2.95
Rot. Bonds5

About 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate

5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate (PubChem CID 173051871) has the molecular formula C24H38O6Si and a molecular weight of 450.65 g/mol. Its IUPAC name is 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate
PubChem CID173051871
Molecular FormulaC24H38O6Si
Molecular Weight450.65 g/mol
Exact Mass450.24
IUPAC Name5,5-dimethylcyclohexane-1,3-dione;3-(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.CC1(C)CC(=O)CC(=O)C1
InChIInChI=1S/C16H26O4Si.C8H12O2/c1-10(2)14(19)20-8-6-7-11-13(18)16(5,21)12(17)9-15(11,3)4;1-8(2)4-6(9)3-7(10)5-8/h11H,1,6-9H2,2-5,21H3;3-5H2,1-2H3
InChIKeyFPOXNBIUBQXXHR-UHFFFAOYSA-N
XLogP2.95
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate (CID 173051871) is 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 5,5-dimethylcyclohexane-1,3-dione;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.CC1(C)CC(=O)CC(=O)C1.
What is the InChIKey of 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
The InChIKey is FPOXNBIUBQXXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si.C8H12O2/c1-10(2)14(19)20-8-6-7-11-13(18)16(5,21)12(17)9-15(11,3)4;1-8(2)4-6(9)3-7(10)5-8/h11H,1,6-9H2,2-5,21H3;3-5H2,1-2H3.
What are the key properties of 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate?
5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate has a molecular weight of 450.65 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohexane-1,3-dione;3-(2,2,5-trimethyl-4,6-dioxo-5-silylcyclohexyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 173051871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).