3,5-dihydroxytetradec-7-enoic acid

C14H26O4 — CID 54529529

IUPAC3,5-dihydroxytetradec-7-enoic acid
SMILESCCCCCCC=CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-12(15)10-13(16)11-14(17)18/h7-8,12-13,15-16H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyYVNDMSRNNBRKCU-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.49
Rot. Bonds11

About 3,5-dihydroxytetradec-7-enoic acid

3,5-dihydroxytetradec-7-enoic acid (PubChem CID 54529529) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3,5-dihydroxytetradec-7-enoic acid.

Molecular Properties

Compound Name3,5-dihydroxytetradec-7-enoic acid
PubChem CID54529529
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name3,5-dihydroxytetradec-7-enoic acid
SMILESCCCCCCC=CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-12(15)10-13(16)11-14(17)18/h7-8,12-13,15-16H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyYVNDMSRNNBRKCU-UHFFFAOYSA-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
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
(E,2S,4R)-nonadec-6-ene-1,2,4-triol
CID 56590714
(2R,4R)-nonadec-6-ene-1,2,4-triol
CID 162937145
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-pentacos-2-enylbutanedioic acid
CID 139984745
2-pentadec-2-enylbutanedioic acid
CID 54072439
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxytetradec-7-enoic acid?
The IUPAC name of 3,5-dihydroxytetradec-7-enoic acid (CID 54529529) is 3,5-dihydroxytetradec-7-enoic acid.
What is the SMILES notation for 3,5-dihydroxytetradec-7-enoic acid?
The canonical SMILES for 3,5-dihydroxytetradec-7-enoic acid is CCCCCCC=CCC(O)CC(O)CC(=O)O.
What is the InChIKey of 3,5-dihydroxytetradec-7-enoic acid?
The InChIKey is YVNDMSRNNBRKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-12(15)10-13(16)11-14(17)18/h7-8,12-13,15-16H,2-6,9-11H2,1H3,(H,17,18).
What are the key properties of 3,5-dihydroxytetradec-7-enoic acid?
3,5-dihydroxytetradec-7-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 3,5-dihydroxytetradec-7-enoic acid is sourced from PubChem (CID 54529529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).