3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one

C18H36O2Si — CID 16753961

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one
SMILESCCCCCC1C(=O)CCC1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-16-15(11-12-17(16)19)13-14-20-21(5,6)18(2,3)4/h15-16H,7-14H2,1-6H3
InChIKeyHFVAQGAQPAQSOB-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.57
Rot. Bonds8

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one (PubChem CID 16753961) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one
PubChem CID16753961
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one
SMILESCCCCCC1C(=O)CCC1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-16-15(11-12-17(16)19)13-14-20-21(5,6)18(2,3)4/h15-16H,7-14H2,1-6H3
InChIKeyHFVAQGAQPAQSOB-UHFFFAOYSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.57
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one (CID 16753961) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one is CCCCCC1C(=O)CCC1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one?
The InChIKey is HFVAQGAQPAQSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-16-15(11-12-17(16)19)13-14-20-21(5,6)18(2,3)4/h15-16H,7-14H2,1-6H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one has a molecular weight of 312.57 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentylcyclopentan-1-one is sourced from PubChem (CID 16753961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).