(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one

C22H44O2Si — CID 11280120

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one
SMILESCCCCCCCCCCC[C@H]1CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C22H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-19-17-20(18-21(19)23)24-25(5,6)22(2,3)4/h19-20H,7-18H2,1-6H3/t19-,20?/m0/s1
InChIKeySIGNERDFJZJJGE-XJDOXCRVSA-N
MW368.68 g/mol
LogP7.28
Rot. Bonds12

About (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one (PubChem CID 11280120) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one
PubChem CID11280120
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one
SMILESCCCCCCCCCCC[C@H]1CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C22H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-19-17-20(18-21(19)23)24-25(5,6)22(2,3)4/h19-20H,7-18H2,1-6H3/t19-,20?/m0/s1
InChIKeySIGNERDFJZJJGE-XJDOXCRVSA-N
XLogP7.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one (CID 11280120) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one is CCCCCCCCCCC[C@H]1CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one?
The InChIKey is SIGNERDFJZJJGE-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-19-17-20(18-21(19)23)24-25(5,6)22(2,3)4/h19-20H,7-18H2,1-6H3/t19-,20?/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one has a molecular weight of 368.68 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-undecylcyclopentan-1-one is sourced from PubChem (CID 11280120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).