2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one

C14H28O3Si — CID 50942723

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C1CCCC1=O
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-9-13(16)11-7-6-8-12(11)15/h11,13,16H,6-10H2,1-5H3
InChIKeyTVHGYKZVCRQKLC-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.13
Rot. Bonds5

About 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one

2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one (PubChem CID 50942723) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one
PubChem CID50942723
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C1CCCC1=O
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-9-13(16)11-7-6-8-12(11)15/h11,13,16H,6-10H2,1-5H3
InChIKeyTVHGYKZVCRQKLC-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-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 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one (CID 50942723) is 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one is CC(C)(C)[Si](C)(C)OCCC(O)C1CCCC1=O.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one?
The InChIKey is TVHGYKZVCRQKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-9-13(16)11-7-6-8-12(11)15/h11,13,16H,6-10H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one?
2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one has a molecular weight of 272.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]cyclopentan-1-one is sourced from PubChem (CID 50942723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).