11-butoxyundecan-2-one

C15H30O2 — CID 175547866

IUPAC11-butoxyundecan-2-one
SMILESCCCCOCCCCCCCCCC(C)=O
InChIInChI=1S/C15H30O2/c1-3-4-13-17-14-11-9-7-5-6-8-10-12-15(2)16/h3-14H2,1-2H3
InChIKeyYBCJXQMPIJRAMF-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.51
Rot. Bonds13

About 11-butoxyundecan-2-one

11-butoxyundecan-2-one (PubChem CID 175547866) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 11-butoxyundecan-2-one.

Molecular Properties

Compound Name11-butoxyundecan-2-one
PubChem CID175547866
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name11-butoxyundecan-2-one
SMILESCCCCOCCCCCCCCCC(C)=O
InChIInChI=1S/C15H30O2/c1-3-4-13-17-14-11-9-7-5-6-8-10-12-15(2)16/h3-14H2,1-2H3
InChIKeyYBCJXQMPIJRAMF-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-hexoxyheptan-2-one
CID 122428493
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
4-nonoxybutan-2-one
CID 175477614
1-butoxybutane;propan-2-one
CID 18424800
nonan-2-one
CID 13187
octadecakis(hexane);nonan-2-one
CID 173226284
decan-2-one
CID 12741
nonatriacontan-2-one
CID 141365496
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
7-(6-aminohexoxy)heptan-2-one
CID 146201806
11-butoxyundecanoate
CID 7614560

Frequently Asked Questions

What is the IUPAC name of 11-butoxyundecan-2-one?
The IUPAC name of 11-butoxyundecan-2-one (CID 175547866) is 11-butoxyundecan-2-one.
What is the SMILES notation for 11-butoxyundecan-2-one?
The canonical SMILES for 11-butoxyundecan-2-one is CCCCOCCCCCCCCCC(C)=O.
What is the InChIKey of 11-butoxyundecan-2-one?
The InChIKey is YBCJXQMPIJRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-4-13-17-14-11-9-7-5-6-8-10-12-15(2)16/h3-14H2,1-2H3.
What are the key properties of 11-butoxyundecan-2-one?
11-butoxyundecan-2-one has a molecular weight of 242.40 g/mol, XLogP of 4.51, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butoxyundecan-2-one is sourced from PubChem (CID 175547866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).