1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one

C17H34O2Si — CID 101364444

IUPAC1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one
SMILESCCCCC(=O)[C@@]1(C)CCC[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-6-10-12-15(18)17(5)14-11-13-16(17)19-20(7-2,8-3)9-4/h16H,6-14H2,1-5H3/t16-,17-/m1/s1
InChIKeyQZDWUWPIPGULTA-IAGOWNOFSA-N
MW298.54 g/mol
LogP5.33
Rot. Bonds9

About 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one

1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one (PubChem CID 101364444) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one
PubChem CID101364444
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one
SMILESCCCCC(=O)[C@@]1(C)CCC[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-6-10-12-15(18)17(5)14-11-13-16(17)19-20(7-2,8-3)9-4/h16H,6-14H2,1-5H3/t16-,17-/m1/s1
InChIKeyQZDWUWPIPGULTA-IAGOWNOFSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-1-methylcyclopentyl)octan-1-one
CID 116607169
(4S,5R,9S)-4,9-bis(triethylsilyloxy)-1-oxaspiro[4.4]nonan-2-one
CID 71362585
1-(2,2-dimethylcyclopentyl)heptan-1-one
CID 107186757
ethyl 1,4-dimethyl-7-triethylsilyloxycyclohept-3-ene-1-carboxylate
CID 10925446
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
1-(4-methylpiperidin-4-yl)pentan-1-one
CID 116567515
1-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]propan-1-one
CID 11686947
1-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
triethyl-[(6S,11S)-spiro[5.5]undec-4-en-11-yl]oxysilane
CID 101243616
1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pentan-1-one
CID 25136841
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one?
The IUPAC name of 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one (CID 101364444) is 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one.
What is the SMILES notation for 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one?
The canonical SMILES for 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one is CCCCC(=O)[C@@]1(C)CCC[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one?
The InChIKey is QZDWUWPIPGULTA-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-6-10-12-15(18)17(5)14-11-13-16(17)19-20(7-2,8-3)9-4/h16H,6-14H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one?
1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one has a molecular weight of 298.54 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one is sourced from PubChem (CID 101364444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).