2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one

C15H30O2Si — CID 13398604

IUPAC2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
SMILESCC(C)[Si](OCC1CCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-11(2)18(12(3)4,13(5)6)17-10-14-8-7-9-15(14)16/h11-14H,7-10H2,1-6H3
InChIKeyCDZPJVOBCHVKDT-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.55
Rot. Bonds6

About 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one

2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one (PubChem CID 13398604) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
PubChem CID13398604
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
SMILESCC(C)[Si](OCC1CCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-11(2)18(12(3)4,13(5)6)17-10-14-8-7-9-15(14)16/h11-14H,7-10H2,1-6H3
InChIKeyCDZPJVOBCHVKDT-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tri(propan-2-yl)silyloxymethyl]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

Related Compounds

2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
CID 10377185
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 11557578
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
CID 71516996
3,5-Dimethyl-6-triethylsilyloxyhexan-2-one
CID 72985644
1-(2-Trimethylsilyloxycyclopentyl)ethanone
CID 73197453
2-[2(Trimethylsilyl)ethoxymethyl]-cyclopentanone
CID 129844723
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 101715538
(4S,5S)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 101715539

Frequently Asked Questions

What is the IUPAC name of 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
The IUPAC name of 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one (CID 13398604) is 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
The canonical SMILES for 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one is CC(C)[Si](OCC1CCCC1=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
The InChIKey is CDZPJVOBCHVKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11(2)18(12(3)4,13(5)6)17-10-14-8-7-9-15(14)16/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one is sourced from PubChem (CID 13398604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).