(E)-11-hydroxytridec-9-enoic acid

C13H24O3 — CID 5318367

IUPAC(E)-11-hydroxytridec-9-enoic acid
SMILESCCC(O)/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+
InChIKeyNSVPCFNUUARRKL-CSKARUKUSA-N
MW228.33 g/mol
LogP3.13
Rot. Bonds10

About (E)-11-hydroxytridec-9-enoic acid

(E)-11-hydroxytridec-9-enoic acid (PubChem CID 5318367) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E)-11-hydroxytridec-9-enoic acid.

Molecular Properties

Compound Name(E)-11-hydroxytridec-9-enoic acid
PubChem CID5318367
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E)-11-hydroxytridec-9-enoic acid
SMILESCCC(O)/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+
InChIKeyNSVPCFNUUARRKL-CSKARUKUSA-N
XLogP3.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-11-hydroxytridec-9-enoic acid?
The IUPAC name of (E)-11-hydroxytridec-9-enoic acid (CID 5318367) is (E)-11-hydroxytridec-9-enoic acid.
What is the SMILES notation for (E)-11-hydroxytridec-9-enoic acid?
The canonical SMILES for (E)-11-hydroxytridec-9-enoic acid is CCC(O)/C=C/CCCCCCCC(=O)O.
What is the InChIKey of (E)-11-hydroxytridec-9-enoic acid?
The InChIKey is NSVPCFNUUARRKL-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+.
What are the key properties of (E)-11-hydroxytridec-9-enoic acid?
(E)-11-hydroxytridec-9-enoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-hydroxytridec-9-enoic acid is sourced from PubChem (CID 5318367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).