2,3,5,11-tetrahydroxytetradecanoic acid

C14H28O6 — CID 163339317

IUPAC2,3,5,11-tetrahydroxytetradecanoic acid
SMILESCCCC(O)CCCCCC(O)CC(O)C(O)C(=O)O
InChIInChI=1S/C14H28O6/c1-2-6-10(15)7-4-3-5-8-11(16)9-12(17)13(18)14(19)20/h10-13,15-18H,2-9H2,1H3,(H,19,20)
InChIKeyYTCBDOLTLNJHGK-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.66
Rot. Bonds12

About 2,3,5,11-tetrahydroxytetradecanoic acid

2,3,5,11-tetrahydroxytetradecanoic acid (PubChem CID 163339317) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2,3,5,11-tetrahydroxytetradecanoic acid.

Molecular Properties

Compound Name2,3,5,11-tetrahydroxytetradecanoic acid
PubChem CID163339317
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2,3,5,11-tetrahydroxytetradecanoic acid
SMILESCCCC(O)CCCCCC(O)CC(O)C(O)C(=O)O
InChIInChI=1S/C14H28O6/c1-2-6-10(15)7-4-3-5-8-11(16)9-12(17)13(18)14(19)20/h10-13,15-18H,2-9H2,1H3,(H,19,20)
InChIKeyYTCBDOLTLNJHGK-UHFFFAOYSA-N
XLogP0.66
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5S)-2-hexyl-3,5-dihydroxyhexadecanoic acid
CID 14607539
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389
24-hydroxyheptacosanoic acid
CID 169277120
16,19-dihydroxydocosanoic acid
CID 169277473
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
2-chloro-4,5,7-trihydroxydecanoic acid
CID 88814365
2-dodecyl-14-hydroxyicosanoic acid
CID 87612369
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746
(E)-13-hydroxyhexadec-6-enoic acid
CID 87224864
(Z)-15-hydroxyoctadec-6-enoic acid
CID 87225177
(7R,8S,10S)-nonacosane-7,8,10-triol
CID 163189131

Frequently Asked Questions

What is the IUPAC name of 2,3,5,11-tetrahydroxytetradecanoic acid?
The IUPAC name of 2,3,5,11-tetrahydroxytetradecanoic acid (CID 163339317) is 2,3,5,11-tetrahydroxytetradecanoic acid.
What is the SMILES notation for 2,3,5,11-tetrahydroxytetradecanoic acid?
The canonical SMILES for 2,3,5,11-tetrahydroxytetradecanoic acid is CCCC(O)CCCCCC(O)CC(O)C(O)C(=O)O.
What is the InChIKey of 2,3,5,11-tetrahydroxytetradecanoic acid?
The InChIKey is YTCBDOLTLNJHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-2-6-10(15)7-4-3-5-8-11(16)9-12(17)13(18)14(19)20/h10-13,15-18H,2-9H2,1H3,(H,19,20).
What are the key properties of 2,3,5,11-tetrahydroxytetradecanoic acid?
2,3,5,11-tetrahydroxytetradecanoic acid has a molecular weight of 292.37 g/mol, XLogP of 0.66, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,11-tetrahydroxytetradecanoic acid is sourced from PubChem (CID 163339317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).