11-butoxyundecanoate

C15H29O3- — CID 7614560

IUPAC11-butoxyundecanoate
SMILESCCCCOCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C15H30O3/c1-2-3-13-18-14-11-9-7-5-4-6-8-10-12-15(16)17/h2-14H2,1H3,(H,16,17)/p-1
InChIKeyGGLNIBSAZPKDDR-UHFFFAOYSA-M
MW257.39 g/mol
LogP3.06
Rot. Bonds14

About 11-butoxyundecanoate

11-butoxyundecanoate (PubChem CID 7614560) has the molecular formula C15H29O3- and a molecular weight of 257.39 g/mol. Its IUPAC name is 11-butoxyundecanoate.

Molecular Properties

Compound Name11-butoxyundecanoate
PubChem CID7614560
Molecular FormulaC15H29O3-
Molecular Weight257.39 g/mol
Exact Mass257.21
IUPAC Name11-butoxyundecanoate
SMILESCCCCOCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C15H30O3/c1-2-3-13-18-14-11-9-7-5-4-6-8-10-12-15(16)17/h2-14H2,1H3,(H,16,17)/p-1
InChIKeyGGLNIBSAZPKDDR-UHFFFAOYSA-M
XLogP3.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxybutan-1-ol;niobium;tetrakis(octanoate);tetrakis(octanoic acid)
CID 173330871
sodium;1-decoxydecane;acetate
CID 154928791
potassium;2-(2-hydroxyethoxy)ethanol;octanoate
CID 162260496
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
11-butoxyundecan-2-one
CID 175547866
disodium;1-octadecoxyoctadecane;carbonate
CID 175470483
cerium(3+);tris(heptadecanoate)
CID 109374153
potassium decanoate
CID 23688501
dizinc bis(octadecanoate)
CID 21187064
tris(hexadecanoate);holmium(3+)
CID 175176417

Frequently Asked Questions

What is the IUPAC name of 11-butoxyundecanoate?
The IUPAC name of 11-butoxyundecanoate (CID 7614560) is 11-butoxyundecanoate.
What is the SMILES notation for 11-butoxyundecanoate?
The canonical SMILES for 11-butoxyundecanoate is CCCCOCCCCCCCCCCC(=O)[O-].
What is the InChIKey of 11-butoxyundecanoate?
The InChIKey is GGLNIBSAZPKDDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30O3/c1-2-3-13-18-14-11-9-7-5-4-6-8-10-12-15(16)17/h2-14H2,1H3,(H,16,17)/p-1.
What are the key properties of 11-butoxyundecanoate?
11-butoxyundecanoate has a molecular weight of 257.39 g/mol, XLogP of 3.06, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butoxyundecanoate is sourced from PubChem (CID 7614560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).