(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one

C13H26O2Si — CID 71516996

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(6,7)15-11-9-8-10(14)13(11,4)5/h11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyWZWMLPSPRRUCLP-NSHDSACASA-N
MW242.43 g/mol
LogP3.77
Rot. Bonds2

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one (PubChem CID 71516996) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
PubChem CID71516996
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(6,7)15-11-9-8-10(14)13(11,4)5/h11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyWZWMLPSPRRUCLP-NSHDSACASA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3,3-dimethylbut-1-ynyl)cyclopentan-1-one
CID 134906204
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 70365573
trans-(1S,2R)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 141293277
trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 141420155
2,2-Bis(((tert-butyldimethylsilyl)oxy)methyl)cyclopentan-1-one
CID 164600195
4-[Tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one
CID 171844436
1-[Tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 171844462
2-Tert-butyl-3-dimethylsilyloxy-2-methylcyclopentan-1-one
CID 173390535
9-[Tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one (CID 71516996) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one is CC1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one?
The InChIKey is WZWMLPSPRRUCLP-NSHDSACASA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(2,3)16(6,7)15-11-9-8-10(14)13(11,4)5/h11H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 71516996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).