6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one

C20H38OSi — CID 102282998

IUPAC6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one
SMILESCCC1(CC)C(=O)C=CCC1C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-9-20(10-2)18(12-11-13-19(20)21)14-22(15(3)4,16(5)6)17(7)8/h11,13,15-18H,9-10,12,14H2,1-8H3
InChIKeyAVGMLUVTNZUDKT-UHFFFAOYSA-N
MW322.61 g/mol
LogP6.62
Rot. Bonds7

About 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one

6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one (PubChem CID 102282998) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one
PubChem CID102282998
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one
SMILESCCC1(CC)C(=O)C=CCC1C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-9-20(10-2)18(12-11-13-19(20)21)14-22(15(3)4,16(5)6)17(7)8/h11,13,15-18H,9-10,12,14H2,1-8H3
InChIKeyAVGMLUVTNZUDKT-UHFFFAOYSA-N
XLogP6.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one?
The IUPAC name of 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one (CID 102282998) is 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one?
The canonical SMILES for 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one is CCC1(CC)C(=O)C=CCC1C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one?
The InChIKey is AVGMLUVTNZUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-9-20(10-2)18(12-11-13-19(20)21)14-22(15(3)4,16(5)6)17(7)8/h11,13,15-18H,9-10,12,14H2,1-8H3.
What are the key properties of 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one?
6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one has a molecular weight of 322.61 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-5-[tri(propan-2-yl)silylmethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 102282998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).