4-hydroxyhept-6-ynoic acid

C7H10O3 — CID 55299360

IUPAC4-hydroxyhept-6-ynoic acid
SMILESC#CCC(O)CCC(=O)O
InChIInChI=1S/C7H10O3/c1-2-3-6(8)4-5-7(9)10/h1,6,8H,3-5H2,(H,9,10)
InChIKeySQBRTSHPVYBBJC-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds4

About 4-hydroxyhept-6-ynoic acid

4-hydroxyhept-6-ynoic acid (PubChem CID 55299360) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxyhept-6-ynoic acid.

Molecular Properties

Compound Name4-hydroxyhept-6-ynoic acid
PubChem CID55299360
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxyhept-6-ynoic acid
SMILESC#CCC(O)CCC(=O)O
InChIInChI=1S/C7H10O3/c1-2-3-6(8)4-5-7(9)10/h1,6,8H,3-5H2,(H,9,10)
InChIKeySQBRTSHPVYBBJC-UHFFFAOYSA-N
XLogP0.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
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

4,7,10-trihydroxytridecanedioic acid
CID 174508120
4-hydroxy-5-sulfanylpentanoic acid
CID 22119508
(4S)-4-hydroxyhexanoic acid
CID 14057564
hept-6-yne-1,4-diol
CID 106677963
non-8-yne-3,6-diol
CID 141036935
ethyl (5R)-5-hydroxyoct-7-ynoate
CID 101251677
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
4-methylhex-5-ynoic acid
CID 54051986
4-hydroxyoctanoic acid
CID 159216758
4,6-dihydroxyoctanoic acid
CID 137380619
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhept-6-ynoic acid?
The IUPAC name of 4-hydroxyhept-6-ynoic acid (CID 55299360) is 4-hydroxyhept-6-ynoic acid.
What is the SMILES notation for 4-hydroxyhept-6-ynoic acid?
The canonical SMILES for 4-hydroxyhept-6-ynoic acid is C#CCC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxyhept-6-ynoic acid?
The InChIKey is SQBRTSHPVYBBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-3-6(8)4-5-7(9)10/h1,6,8H,3-5H2,(H,9,10).
What are the key properties of 4-hydroxyhept-6-ynoic acid?
4-hydroxyhept-6-ynoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyhept-6-ynoic acid is sourced from PubChem (CID 55299360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).