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

C13H24O3 — CID 162884885

IUPAC(E,11R)-11-hydroxytridec-9-enoic acid
SMILESCC[C@@H](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+/t12-/m1/s1
InChIKeyNSVPCFNUUARRKL-ZJNQMXKESA-N
MW228.33 g/mol
LogP3.13
Rot. Bonds10

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

(E,11R)-11-hydroxytridec-9-enoic acid (PubChem CID 162884885) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E,11R)-11-hydroxytridec-9-enoic acid.

Molecular Properties

Compound Name(E,11R)-11-hydroxytridec-9-enoic acid
PubChem CID162884885
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E,11R)-11-hydroxytridec-9-enoic acid
SMILESCC[C@@H](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+/t12-/m1/s1
InChIKeyNSVPCFNUUARRKL-ZJNQMXKESA-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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Related Compounds

(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(10S,11S)-10,11-dihydroxyoctadeca-8,12-dienoic acid
CID 162998890
(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid
CID 135368928
11-methyldodec-9-enoic acid
CID 76621229
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
9,12-dihydroxyhexadec-7-en-10-ynoic acid
CID 74318834
tetradec-8-enoic acid
CID 54338786

Frequently Asked Questions

What is the IUPAC name of (E,11R)-11-hydroxytridec-9-enoic acid?
The IUPAC name of (E,11R)-11-hydroxytridec-9-enoic acid (CID 162884885) is (E,11R)-11-hydroxytridec-9-enoic acid.
What is the SMILES notation for (E,11R)-11-hydroxytridec-9-enoic acid?
The canonical SMILES for (E,11R)-11-hydroxytridec-9-enoic acid is CC[C@@H](O)/C=C/CCCCCCCC(=O)O.
What is the InChIKey of (E,11R)-11-hydroxytridec-9-enoic acid?
The InChIKey is NSVPCFNUUARRKL-ZJNQMXKESA-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+/t12-/m1/s1.
What are the key properties of (E,11R)-11-hydroxytridec-9-enoic acid?
(E,11R)-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,11R)-11-hydroxytridec-9-enoic acid is sourced from PubChem (CID 162884885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).