3-hydroxydec-9-ynoic acid

C10H16O3 — CID 87721697

IUPAC3-hydroxydec-9-ynoic acid
SMILESC#CCCCCCC(O)CC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h1,9,11H,3-8H2,(H,12,13)
InChIKeyGKZOWLYMGZOTEA-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds7

About 3-hydroxydec-9-ynoic acid

3-hydroxydec-9-ynoic acid (PubChem CID 87721697) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-hydroxydec-9-ynoic acid.

Molecular Properties

Compound Name3-hydroxydec-9-ynoic acid
PubChem CID87721697
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-hydroxydec-9-ynoic acid
SMILESC#CCCCCCC(O)CC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h1,9,11H,3-8H2,(H,12,13)
InChIKeyGKZOWLYMGZOTEA-UHFFFAOYSA-N
XLogP1.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctanedioic acid
CID 22328017
3-hydroxyoctanoic acid
CID 159718411
2-bromooctadec-17-ynoic acid
CID 102493434
(3S)-3-hydroxyheptanedioic acid
CID 87737490
heptadec-16-ynoic acid
CID 5312626

Frequently Asked Questions

What is the IUPAC name of 3-hydroxydec-9-ynoic acid?
The IUPAC name of 3-hydroxydec-9-ynoic acid (CID 87721697) is 3-hydroxydec-9-ynoic acid.
What is the SMILES notation for 3-hydroxydec-9-ynoic acid?
The canonical SMILES for 3-hydroxydec-9-ynoic acid is C#CCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxydec-9-ynoic acid?
The InChIKey is GKZOWLYMGZOTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h1,9,11H,3-8H2,(H,12,13).
What are the key properties of 3-hydroxydec-9-ynoic acid?
3-hydroxydec-9-ynoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydec-9-ynoic acid is sourced from PubChem (CID 87721697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).