(3R)-3,8-dihydroxytetradec-5-enoic acid

C14H26O4 — CID 57012260

IUPAC(3R)-3,8-dihydroxytetradec-5-enoic acid
SMILESCCCCCCC(O)CC=CC[C@@H](O)CC(=O)O
InChIInChI=1S/C14H26O4/c1-2-3-4-5-8-12(15)9-6-7-10-13(16)11-14(17)18/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyKORCRHZMQVDGET-ZGTCLIOFSA-N
MW258.36 g/mol
LogP2.49
Rot. Bonds11

About (3R)-3,8-dihydroxytetradec-5-enoic acid

(3R)-3,8-dihydroxytetradec-5-enoic acid (PubChem CID 57012260) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-3,8-dihydroxytetradec-5-enoic acid.

Molecular Properties

Compound Name(3R)-3,8-dihydroxytetradec-5-enoic acid
PubChem CID57012260
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(3R)-3,8-dihydroxytetradec-5-enoic acid
SMILESCCCCCCC(O)CC=CC[C@@H](O)CC(=O)O
InChIInChI=1S/C14H26O4/c1-2-3-4-5-8-12(15)9-6-7-10-13(16)11-14(17)18/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyKORCRHZMQVDGET-ZGTCLIOFSA-N
XLogP2.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-hydroxytetradec-5-enoic acid
CID 73443469
(E,6R)-6-hydroxydodec-3-enoic acid
CID 87722437
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
7-hydroxytridec-4-enoic acid
CID 162699563
3-hydroxyoctanoic acid
CID 159718411
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
(E)-8-hydroxyicos-5-enoic acid
CID 14748256
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303

Frequently Asked Questions

What is the IUPAC name of (3R)-3,8-dihydroxytetradec-5-enoic acid?
The IUPAC name of (3R)-3,8-dihydroxytetradec-5-enoic acid (CID 57012260) is (3R)-3,8-dihydroxytetradec-5-enoic acid.
What is the SMILES notation for (3R)-3,8-dihydroxytetradec-5-enoic acid?
The canonical SMILES for (3R)-3,8-dihydroxytetradec-5-enoic acid is CCCCCCC(O)CC=CC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3,8-dihydroxytetradec-5-enoic acid?
The InChIKey is KORCRHZMQVDGET-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-8-12(15)9-6-7-10-13(16)11-14(17)18/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,17,18)/t12?,13-/m1/s1.
What are the key properties of (3R)-3,8-dihydroxytetradec-5-enoic acid?
(3R)-3,8-dihydroxytetradec-5-enoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.49, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,8-dihydroxytetradec-5-enoic acid is sourced from PubChem (CID 57012260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).