butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate

C15H29FO3Si — CID 174878180

IUPACbutyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate
SMILESCCCCOC(=O)C(CCCF)C1([SiH2]C)CCCCO1
InChIInChI=1S/C15H29FO3Si/c1-3-4-11-18-14(17)13(8-7-10-16)15(20-2)9-5-6-12-19-15/h13H,3-12,20H2,1-2H3
InChIKeyQOKOWNZXUCZSBB-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.81
Rot. Bonds9

About butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate

butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate (PubChem CID 174878180) has the molecular formula C15H29FO3Si and a molecular weight of 304.48 g/mol. Its IUPAC name is butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate.

Molecular Properties

Compound Namebutyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate
PubChem CID174878180
Molecular FormulaC15H29FO3Si
Molecular Weight304.48 g/mol
Exact Mass304.19
IUPAC Namebutyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate
SMILESCCCCOC(=O)C(CCCF)C1([SiH2]C)CCCCO1
InChIInChI=1S/C15H29FO3Si/c1-3-4-11-18-14(17)13(8-7-10-16)15(20-2)9-5-6-12-19-15/h13H,3-12,20H2,1-2H3
InChIKeyQOKOWNZXUCZSBB-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
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 butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate?
The IUPAC name of butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate (CID 174878180) is butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate.
What is the SMILES notation for butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate?
The canonical SMILES for butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate is CCCCOC(=O)C(CCCF)C1([SiH2]C)CCCCO1.
What is the InChIKey of butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate?
The InChIKey is QOKOWNZXUCZSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO3Si/c1-3-4-11-18-14(17)13(8-7-10-16)15(20-2)9-5-6-12-19-15/h13H,3-12,20H2,1-2H3.
What are the key properties of butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate?
butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate has a molecular weight of 304.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-fluoro-2-(2-methylsilyloxan-2-yl)pentanoate is sourced from PubChem (CID 174878180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).