3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one

C20H40OSi — CID 139263738

IUPAC3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one
SMILESCC(C)C(C)(C)C(C)(C)[Si](C)(C)C1(C)CC(=O)CC(C)(C)C1
InChIInChI=1S/C20H40OSi/c1-15(2)18(5,6)19(7,8)22(10,11)20(9)13-16(21)12-17(3,4)14-20/h15H,12-14H2,1-11H3
InChIKeyBFRFYRRFIXUAPX-UHFFFAOYSA-N
MW324.63 g/mol
LogP6.70
Rot. Bonds4

About 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one

3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one (PubChem CID 139263738) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one
PubChem CID139263738
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Name3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one
SMILESCC(C)C(C)(C)C(C)(C)[Si](C)(C)C1(C)CC(=O)CC(C)(C)C1
InChIInChI=1S/C20H40OSi/c1-15(2)18(5,6)19(7,8)22(10,11)20(9)13-16(21)12-17(3,4)14-20/h15H,12-14H2,1-11H3
InChIKeyBFRFYRRFIXUAPX-UHFFFAOYSA-N
XLogP6.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one with MolForge

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Related Compounds

2-Methyl-6-(trimethylsilylmethyl)cyclohexan-1-one
CID 14712713
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
trans-(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-propan-2-ylcyclohexan-1-one
CID 101831608
4-Tert-butyl-2-methyl-6-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 135049648
3-[[Fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one
CID 10466416
3-Propyl-1-trimethylsilylmethylspiro(3.5)nonan-5-one
CID 101621170
3-Methyl-1-trimethylsilylmethylspiro(3.5)nonan-5-one
CID 101624322
4-(1-Methyl-1-pentylsilinan-4-yl)cyclohexan-1-one
CID 18935827
5,5,9-Trimethyl-1-trimethylsilyldecan-2-one
CID 56989741
4,4-Dimethyl-3-trimethylsilylcyclohexan-1-one
CID 89758822
4-Tert-butyl-2-dimethylsilylcyclohexan-1-one
CID 152781213

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one?
The IUPAC name of 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one (CID 139263738) is 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one.
What is the SMILES notation for 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one?
The canonical SMILES for 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one is CC(C)C(C)(C)C(C)(C)[Si](C)(C)C1(C)CC(=O)CC(C)(C)C1.
What is the InChIKey of 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one?
The InChIKey is BFRFYRRFIXUAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi/c1-15(2)18(5,6)19(7,8)22(10,11)20(9)13-16(21)12-17(3,4)14-20/h15H,12-14H2,1-11H3.
What are the key properties of 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one?
3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one has a molecular weight of 324.63 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(2,3,3,4-tetramethylpentan-2-yl)silyl]-3,5,5-trimethylcyclohexan-1-one is sourced from PubChem (CID 139263738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).