5-hydroxydec-7-ynoic acid

C10H16O3 — CID 131862407

IUPAC5-hydroxydec-7-ynoic acid
SMILESCCC#CCC(O)CCCC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2,5-8H2,1H3,(H,12,13)
InChIKeyDOTXOHVZFKMFAE-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds5

About 5-hydroxydec-7-ynoic acid

5-hydroxydec-7-ynoic acid (PubChem CID 131862407) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-hydroxydec-7-ynoic acid.

Molecular Properties

Compound Name5-hydroxydec-7-ynoic acid
PubChem CID131862407
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-hydroxydec-7-ynoic acid
SMILESCCC#CCC(O)CCCC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2,5-8H2,1H3,(H,12,13)
InChIKeyDOTXOHVZFKMFAE-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 ≤ 500184.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxydec-7-ynoic acid?
The IUPAC name of 5-hydroxydec-7-ynoic acid (CID 131862407) is 5-hydroxydec-7-ynoic acid.
What is the SMILES notation for 5-hydroxydec-7-ynoic acid?
The canonical SMILES for 5-hydroxydec-7-ynoic acid is CCC#CCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxydec-7-ynoic acid?
The InChIKey is DOTXOHVZFKMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2,5-8H2,1H3,(H,12,13).
What are the key properties of 5-hydroxydec-7-ynoic acid?
5-hydroxydec-7-ynoic acid has a molecular weight of 184.23 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 5-hydroxydec-7-ynoic acid is sourced from PubChem (CID 131862407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).