11-hydroxydodec-11-enoic acid

C12H22O3 — CID 23566131

IUPAC11-hydroxydodec-11-enoic acid
SMILESC=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h13H,1-10H2,(H,14,15)
InChIKeyYJKNKZFVIUJRBI-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.65
Rot. Bonds10

About 11-hydroxydodec-11-enoic acid

11-hydroxydodec-11-enoic acid (PubChem CID 23566131) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 11-hydroxydodec-11-enoic acid.

Molecular Properties

Compound Name11-hydroxydodec-11-enoic acid
PubChem CID23566131
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name11-hydroxydodec-11-enoic acid
SMILESC=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h13H,1-10H2,(H,14,15)
InChIKeyYJKNKZFVIUJRBI-UHFFFAOYSA-N
XLogP3.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of 11-hydroxydodec-11-enoic acid?
The IUPAC name of 11-hydroxydodec-11-enoic acid (CID 23566131) is 11-hydroxydodec-11-enoic acid.
What is the SMILES notation for 11-hydroxydodec-11-enoic acid?
The canonical SMILES for 11-hydroxydodec-11-enoic acid is C=C(O)CCCCCCCCCC(=O)O.
What is the InChIKey of 11-hydroxydodec-11-enoic acid?
The InChIKey is YJKNKZFVIUJRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h13H,1-10H2,(H,14,15).
What are the key properties of 11-hydroxydodec-11-enoic acid?
11-hydroxydodec-11-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxydodec-11-enoic acid is sourced from PubChem (CID 23566131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).