(E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid

C13H24O3S — CID 122396907

IUPAC(E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid
SMILESO=C(O)CCCCCCCC/C=C/SCCO
InChIInChI=1S/C13H24O3S/c14-10-12-17-11-8-6-4-2-1-3-5-7-9-13(15)16/h8,11,14H,1-7,9-10,12H2,(H,15,16)/b11-8+
InChIKeyNFXCUSSWLMPYBB-DHZHZOJOSA-N
MW260.40 g/mol
LogP3.43
Rot. Bonds12

About (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid

(E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid (PubChem CID 122396907) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid.

Molecular Properties

Compound Name(E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid
PubChem CID122396907
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Name(E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid
SMILESO=C(O)CCCCCCCC/C=C/SCCO
InChIInChI=1S/C13H24O3S/c14-10-12-17-11-8-6-4-2-1-3-5-7-9-13(15)16/h8,11,14H,1-7,9-10,12H2,(H,15,16)/b11-8+
InChIKeyNFXCUSSWLMPYBB-DHZHZOJOSA-N
XLogP3.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(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
(Z)-dodec-5-enedioic acid
CID 86751837
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442

Frequently Asked Questions

What is the IUPAC name of (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid?
The IUPAC name of (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid (CID 122396907) is (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid.
What is the SMILES notation for (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid?
The canonical SMILES for (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid is O=C(O)CCCCCCCC/C=C/SCCO.
What is the InChIKey of (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid?
The InChIKey is NFXCUSSWLMPYBB-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24O3S/c14-10-12-17-11-8-6-4-2-1-3-5-7-9-13(15)16/h8,11,14H,1-7,9-10,12H2,(H,15,16)/b11-8+.
What are the key properties of (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid?
(E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid has a molecular weight of 260.40 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-(2-hydroxyethylsulfanyl)undec-10-enoic acid is sourced from PubChem (CID 122396907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).