4-hydroxytetradec-5-ynoate

C14H23O3- — CID 19734163

IUPAC4-hydroxytetradec-5-ynoate
SMILESCCCCCCCCC#CC(O)CCC(=O)[O-]
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h13,15H,2-8,11-12H2,1H3,(H,16,17)/p-1
InChIKeyWQNCWSOLWQSLRJ-UHFFFAOYSA-M
MW239.33 g/mol
LogP1.63
Rot. Bonds9

About 4-hydroxytetradec-5-ynoate

4-hydroxytetradec-5-ynoate (PubChem CID 19734163) has the molecular formula C14H23O3- and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-hydroxytetradec-5-ynoate.

Molecular Properties

Compound Name4-hydroxytetradec-5-ynoate
PubChem CID19734163
Molecular FormulaC14H23O3-
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-hydroxytetradec-5-ynoate
SMILESCCCCCCCCC#CC(O)CCC(=O)[O-]
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h13,15H,2-8,11-12H2,1H3,(H,16,17)/p-1
InChIKeyWQNCWSOLWQSLRJ-UHFFFAOYSA-M
XLogP1.63
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
ethyl 4-hydroxytetradec-5-ynoate
CID 19734178
zinc bis(octadeca-5,7-diynoate)
CID 21264952
7-hydroxydodec-5-ynoic acid
CID 169494808
icosa-6,15-diyn-5-ol
CID 18710567
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
docos-13-ynoate;bis(trimethylazanium);chloride
CID 141426777
non-3-yne-1,2-diol
CID 72760493

Frequently Asked Questions

What is the IUPAC name of 4-hydroxytetradec-5-ynoate?
The IUPAC name of 4-hydroxytetradec-5-ynoate (CID 19734163) is 4-hydroxytetradec-5-ynoate.
What is the SMILES notation for 4-hydroxytetradec-5-ynoate?
The canonical SMILES for 4-hydroxytetradec-5-ynoate is CCCCCCCCC#CC(O)CCC(=O)[O-].
What is the InChIKey of 4-hydroxytetradec-5-ynoate?
The InChIKey is WQNCWSOLWQSLRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h13,15H,2-8,11-12H2,1H3,(H,16,17)/p-1.
What are the key properties of 4-hydroxytetradec-5-ynoate?
4-hydroxytetradec-5-ynoate has a molecular weight of 239.33 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxytetradec-5-ynoate is sourced from PubChem (CID 19734163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).