1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone

C16H32OSi — CID 10061596

IUPAC1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H]([Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C16H32OSi/c1-11(2)18(12(3)4,13(5)6)16-9-8-15(10-16)14(7)17/h11-13,15-16H,8-10H2,1-7H3/t15-,16+/m1/s1
InChIKeyYMNYKXDBIZZNJI-CVEARBPZSA-N
MW268.52 g/mol
LogP5.42
Rot. Bonds5

About 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone

1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone (PubChem CID 10061596) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone
PubChem CID10061596
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H]([Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C16H32OSi/c1-11(2)18(12(3)4,13(5)6)16-9-8-15(10-16)14(7)17/h11-13,15-16H,8-10H2,1-7H3/t15-,16+/m1/s1
InChIKeyYMNYKXDBIZZNJI-CVEARBPZSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopentyl-3-(trimethylsilyl)prop-2-yn-1-one
CID 12748618
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
3-[Tert-butyl(dimethyl)silyl]-3-methylcyclopentan-1-one
CID 85598144
3-(Trimethylsilylmethyl)heptan-2-one
CID 85613691
3-(Trimethylsilylmethyl)cyclopentan-1-one
CID 122216044
(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one
CID 135000672
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
CID 10586423
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
CID 10658901
2-(2-Trimethylsilylethyl)cyclododecan-1-one
CID 10333999
2-(2-Trimethylsilylethyl)cyclopentan-1-one
CID 10397502
2-(3-Trimethylsilylpropyl)cyclopentan-1-one
CID 10397850

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone (CID 10061596) is 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone is CC(=O)[C@@H]1CC[C@H]([Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone?
The InChIKey is YMNYKXDBIZZNJI-CVEARBPZSA-N. The full InChI is InChI=1S/C16H32OSi/c1-11(2)18(12(3)4,13(5)6)16-9-8-15(10-16)14(7)17/h11-13,15-16H,8-10H2,1-7H3/t15-,16+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone?
1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone has a molecular weight of 268.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone is sourced from PubChem (CID 10061596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).