(Z,3R)-3-hydroxytetradec-7-enoic acid

C14H26O3 — CID 24881363

IUPAC(Z,3R)-3-hydroxytetradec-7-enoic acid
SMILESCCCCCC/C=C\CCC[C@@H](O)CC(=O)O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h7-8,13,15H,2-6,9-12H2,1H3,(H,16,17)/b8-7-/t13-/m1/s1
InChIKeyXEDLAVDOPNIEBY-MEJMFZKBSA-N
MW242.36 g/mol
LogP3.52
Rot. Bonds11

About (Z,3R)-3-hydroxytetradec-7-enoic acid

(Z,3R)-3-hydroxytetradec-7-enoic acid (PubChem CID 24881363) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (Z,3R)-3-hydroxytetradec-7-enoic acid.

Molecular Properties

Compound Name(Z,3R)-3-hydroxytetradec-7-enoic acid
PubChem CID24881363
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(Z,3R)-3-hydroxytetradec-7-enoic acid
SMILESCCCCCC/C=C\CCC[C@@H](O)CC(=O)O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h7-8,13,15H,2-6,9-12H2,1H3,(H,16,17)/b8-7-/t13-/m1/s1
InChIKeyXEDLAVDOPNIEBY-MEJMFZKBSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.52
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

(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
3-hydroxytetradec-5-enoic acid
CID 73443469
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctanoic acid
CID 159718411
ethyl (Z,3R)-3-hydroxytetradec-7-enoate
CID 24881362
3,5-dihydroxytetradec-7-enoic acid
CID 54529529
methyl (E)-3-hydroxyhexadec-7-enoate
CID 24788055
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
14-hydroxydotriacont-20-enoic acid
CID 168720018
4-hydroxydocosa-9,13-dienoic acid
CID 139805405
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-3-hydroxytetradec-7-enoic acid?
The IUPAC name of (Z,3R)-3-hydroxytetradec-7-enoic acid (CID 24881363) is (Z,3R)-3-hydroxytetradec-7-enoic acid.
What is the SMILES notation for (Z,3R)-3-hydroxytetradec-7-enoic acid?
The canonical SMILES for (Z,3R)-3-hydroxytetradec-7-enoic acid is CCCCCC/C=C\CCC[C@@H](O)CC(=O)O.
What is the InChIKey of (Z,3R)-3-hydroxytetradec-7-enoic acid?
The InChIKey is XEDLAVDOPNIEBY-MEJMFZKBSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h7-8,13,15H,2-6,9-12H2,1H3,(H,16,17)/b8-7-/t13-/m1/s1.
What are the key properties of (Z,3R)-3-hydroxytetradec-7-enoic acid?
(Z,3R)-3-hydroxytetradec-7-enoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-3-hydroxytetradec-7-enoic acid is sourced from PubChem (CID 24881363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).