3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one

C19H38O3Si — CID 70516869

IUPAC3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one
SMILESCCCCC1C(O[Si](C)(C)CCCC)CC(=O)C1CCCCO
InChIInChI=1S/C19H38O3Si/c1-5-7-11-17-16(12-9-10-13-20)18(21)15-19(17)22-23(3,4)14-8-6-2/h16-17,19-20H,5-15H2,1-4H3
InChIKeyXPFCXNPNUSIJEA-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.93
Rot. Bonds12

About 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one

3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one (PubChem CID 70516869) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one
PubChem CID70516869
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one
SMILESCCCCC1C(O[Si](C)(C)CCCC)CC(=O)C1CCCCO
InChIInChI=1S/C19H38O3Si/c1-5-7-11-17-16(12-9-10-13-20)18(21)15-19(17)22-23(3,4)14-8-6-2/h16-17,19-20H,5-15H2,1-4H3
InChIKeyXPFCXNPNUSIJEA-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one?
The IUPAC name of 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one (CID 70516869) is 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one.
What is the SMILES notation for 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one?
The canonical SMILES for 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one is CCCCC1C(O[Si](C)(C)CCCC)CC(=O)C1CCCCO.
What is the InChIKey of 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one?
The InChIKey is XPFCXNPNUSIJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-5-7-11-17-16(12-9-10-13-20)18(21)15-19(17)22-23(3,4)14-8-6-2/h16-17,19-20H,5-15H2,1-4H3.
What are the key properties of 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one?
3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one has a molecular weight of 342.60 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(4-hydroxybutyl)cyclopentan-1-one is sourced from PubChem (CID 70516869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).