11-(3-oxocyclopropen-1-yl)undecanoic acid

C14H22O3 — CID 10243288

IUPAC11-(3-oxocyclopropen-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCc1cc1=O
InChIInChI=1S/C14H22O3/c15-13-11-12(13)9-7-5-3-1-2-4-6-8-10-14(16)17/h11H,1-10H2,(H,16,17)
InChIKeyVTAFYINAQIGZCR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.06
Rot. Bonds11

About 11-(3-oxocyclopropen-1-yl)undecanoic acid

11-(3-oxocyclopropen-1-yl)undecanoic acid (PubChem CID 10243288) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 11-(3-oxocyclopropen-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(3-oxocyclopropen-1-yl)undecanoic acid
PubChem CID10243288
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name11-(3-oxocyclopropen-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCc1cc1=O
InChIInChI=1S/C14H22O3/c15-13-11-12(13)9-7-5-3-1-2-4-6-8-10-14(16)17/h11H,1-10H2,(H,16,17)
InChIKeyVTAFYINAQIGZCR-UHFFFAOYSA-N
XLogP3.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
6-(2,5-dihydroxy-1H-pyrrol-3-yl)hexanoic acid
CID 123209377
2-(6-hydroxyhexyl)cycloprop-2-en-1-one
CID 10975707
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
6-(2,5-dibromothiophen-3-yl)hexanoic acid
CID 43446944
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 11-(3-oxocyclopropen-1-yl)undecanoic acid?
The IUPAC name of 11-(3-oxocyclopropen-1-yl)undecanoic acid (CID 10243288) is 11-(3-oxocyclopropen-1-yl)undecanoic acid.
What is the SMILES notation for 11-(3-oxocyclopropen-1-yl)undecanoic acid?
The canonical SMILES for 11-(3-oxocyclopropen-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCc1cc1=O.
What is the InChIKey of 11-(3-oxocyclopropen-1-yl)undecanoic acid?
The InChIKey is VTAFYINAQIGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-13-11-12(13)9-7-5-3-1-2-4-6-8-10-14(16)17/h11H,1-10H2,(H,16,17).
What are the key properties of 11-(3-oxocyclopropen-1-yl)undecanoic acid?
11-(3-oxocyclopropen-1-yl)undecanoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-oxocyclopropen-1-yl)undecanoic acid is sourced from PubChem (CID 10243288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).