(6S)-6-hydroxydec-4-ynoic acid

C10H16O3 — CID 162981215

IUPAC(6S)-6-hydroxydec-4-ynoic acid
SMILESCCCC[C@H](O)C#CCCC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyDPGVHXHAHQPSNB-VIFPVBQESA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds5

About (6S)-6-hydroxydec-4-ynoic acid

(6S)-6-hydroxydec-4-ynoic acid (PubChem CID 162981215) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6S)-6-hydroxydec-4-ynoic acid.

Molecular Properties

Compound Name(6S)-6-hydroxydec-4-ynoic acid
PubChem CID162981215
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6S)-6-hydroxydec-4-ynoic acid
SMILESCCCC[C@H](O)C#CCCC(=O)O
InChIInChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyDPGVHXHAHQPSNB-VIFPVBQESA-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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Related Compounds

7-hydroxydodec-5-ynoic acid
CID 169494808
(14R)-14-hydroxyoctadeca-10,12-diynoic acid
CID 2337328
icosa-6,15-diyn-5-ol
CID 18710567
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
16-hydroxyoctadec-14-ynoic acid
CID 86215783
ethyl (17R)-17-hydroxyhenicos-15-ynoate
CID 87948046
ethyl 16-hydroxyicos-14-ynoate
CID 86215717
heptacos-10-yn-9-ol
CID 11058298
tetracos-13-yn-12-ol
CID 169488986
methyl (12S)-12-hydroxyheptadec-13-ynoate
CID 10424672
4-hydroxytetradec-5-ynoate
CID 19734163
4-hydroxyoctanoic acid
CID 159216758

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxydec-4-ynoic acid?
The IUPAC name of (6S)-6-hydroxydec-4-ynoic acid (CID 162981215) is (6S)-6-hydroxydec-4-ynoic acid.
What is the SMILES notation for (6S)-6-hydroxydec-4-ynoic acid?
The canonical SMILES for (6S)-6-hydroxydec-4-ynoic acid is CCCC[C@H](O)C#CCCC(=O)O.
What is the InChIKey of (6S)-6-hydroxydec-4-ynoic acid?
The InChIKey is DPGVHXHAHQPSNB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (6S)-6-hydroxydec-4-ynoic acid?
(6S)-6-hydroxydec-4-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 (6S)-6-hydroxydec-4-ynoic acid is sourced from PubChem (CID 162981215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).