5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one

C18H34O3Si — CID 101231320

IUPAC5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCOC1(OC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)C1C
InChIInChI=1S/C18H34O3Si/c1-11(2)22(12(3)4,13(5)6)16-14(7)15(8)18(20-9,21-10)17(16)19/h11-13,15H,1-10H3
InChIKeyVMOWLCYILPQWFR-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.73
Rot. Bonds6

About 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one

5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (PubChem CID 101231320) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
PubChem CID101231320
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCOC1(OC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)C1C
InChIInChI=1S/C18H34O3Si/c1-11(2)22(12(3)4,13(5)6)16-14(7)15(8)18(20-9,21-10)17(16)19/h11-13,15H,1-10H3
InChIKeyVMOWLCYILPQWFR-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The IUPAC name of 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (CID 101231320) is 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.
What is the SMILES notation for 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The canonical SMILES for 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is COC1(OC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)C1C.
What is the InChIKey of 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The InChIKey is VMOWLCYILPQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-11(2)22(12(3)4,13(5)6)16-14(7)15(8)18(20-9,21-10)17(16)19/h11-13,15H,1-10H3.
What are the key properties of 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one has a molecular weight of 326.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is sourced from PubChem (CID 101231320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).