4-hydroxydec-2-ynoic acid

C10H16O3 — CID 86013126

IUPAC4-hydroxydec-2-ynoic acid
SMILESCCCCCCC(O)C#CC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9,11H,2-6H2,1H3,(H,12,13)
InChIKeyMSBRBLRVGRWQPW-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.41
Rot. Bonds5

About 4-hydroxydec-2-ynoic acid

4-hydroxydec-2-ynoic acid (PubChem CID 86013126) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-hydroxydec-2-ynoic acid.

Molecular Properties

Compound Name4-hydroxydec-2-ynoic acid
PubChem CID86013126
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name4-hydroxydec-2-ynoic acid
SMILESCCCCCCC(O)C#CC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9,11H,2-6H2,1H3,(H,12,13)
InChIKeyMSBRBLRVGRWQPW-UHFFFAOYSA-N
XLogP1.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(4R)-4-hydroxyheptadec-2-ynoic acid
CID 129385754
(5R)-2-methyldodec-1-en-3-yn-5-ol
CID 71614596
acetic acid;1-bromonon-2-yn-4-ol
CID 71364762
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
9-hydroxydodec-7-yn-6-one
CID 10965448
(17R)-17-hydroxyhenicos-2-ynoic acid
CID 91327191
7-hydroxydodec-5-ynoic acid
CID 169494808
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558

Frequently Asked Questions

What is the IUPAC name of 4-hydroxydec-2-ynoic acid?
The IUPAC name of 4-hydroxydec-2-ynoic acid (CID 86013126) is 4-hydroxydec-2-ynoic acid.
What is the SMILES notation for 4-hydroxydec-2-ynoic acid?
The canonical SMILES for 4-hydroxydec-2-ynoic acid is CCCCCCC(O)C#CC(=O)O.
What is the InChIKey of 4-hydroxydec-2-ynoic acid?
The InChIKey is MSBRBLRVGRWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-hydroxydec-2-ynoic acid?
4-hydroxydec-2-ynoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxydec-2-ynoic acid is sourced from PubChem (CID 86013126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).