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

C19H38O3Si — CID 21296226

IUPAC3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one
SMILESCCCCC1C(O[Si](C)(C)CCCC)CC(=O)C1C(O)CCC
InChIInChI=1S/C19H38O3Si/c1-6-9-12-15-18(22-23(4,5)13-10-7-2)14-17(21)19(15)16(20)11-8-3/h15-16,18-20H,6-14H2,1-5H3
InChIKeyXVUYURRKMOIQTJ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.93
Rot. Bonds11

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

3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one (PubChem CID 21296226) 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-(1-hydroxybutyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one
PubChem CID21296226
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one
SMILESCCCCC1C(O[Si](C)(C)CCCC)CC(=O)C1C(O)CCC
InChIInChI=1S/C19H38O3Si/c1-6-9-12-15-18(22-23(4,5)13-10-7-2)14-17(21)19(15)16(20)11-8-3/h15-16,18-20H,6-14H2,1-5H3
InChIKeyXVUYURRKMOIQTJ-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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': '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-(1-hydroxybutyl)cyclopentan-1-one?
The IUPAC name of 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one (CID 21296226) is 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one.
What is the SMILES notation for 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one?
The canonical SMILES for 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one is CCCCC1C(O[Si](C)(C)CCCC)CC(=O)C1C(O)CCC.
What is the InChIKey of 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one?
The InChIKey is XVUYURRKMOIQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-6-9-12-15-18(22-23(4,5)13-10-7-2)14-17(21)19(15)16(20)11-8-3/h15-16,18-20H,6-14H2,1-5H3.
What are the key properties of 3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one?
3-butyl-4-[butyl(dimethyl)silyl]oxy-2-(1-hydroxybutyl)cyclopentan-1-one has a molecular weight of 342.60 g/mol, XLogP of 4.93, 11 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-(1-hydroxybutyl)cyclopentan-1-one is sourced from PubChem (CID 21296226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).