2-hept-1-en-3-yloxyacetic acid

C9H16O3 — CID 10607291

IUPAC2-hept-1-en-3-yloxyacetic acid
SMILESC=CC(CCCC)OCC(=O)O
InChIInChI=1S/C9H16O3/c1-3-5-6-8(4-2)12-7-9(10)11/h4,8H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyUFQIBPXIJSFKPG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.83
Rot. Bonds7

About 2-hept-1-en-3-yloxyacetic acid

2-hept-1-en-3-yloxyacetic acid (PubChem CID 10607291) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-hept-1-en-3-yloxyacetic acid.

Molecular Properties

Compound Name2-hept-1-en-3-yloxyacetic acid
PubChem CID10607291
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-hept-1-en-3-yloxyacetic acid
SMILESC=CC(CCCC)OCC(=O)O
InChIInChI=1S/C9H16O3/c1-3-5-6-8(4-2)12-7-9(10)11/h4,8H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyUFQIBPXIJSFKPG-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(But-3-en-2-yloxy)acetic acid
CID 12648842
2,4-Dihydrophenoxyacetic acid
CID 12648840
2-((1-Ethenylhexyl)oxy)acetic acid
CID 12648843
2-Hept-6-enoxyacetic acid
CID 10419629
ethyl 2-[(Z)-1-iodooct-1-en-3-yl]oxyacetate
CID 11624254
2-Dec-1-en-3-yloxyacetic acid
CID 12648838
propan-2-yl 2-[(E)-oct-2-en-4-yl]oxyacetate
CID 13673781
Butyl 2-but-3-en-2-yloxyacetate
CID 13005702
2-Non-1-en-3-yloxyacetic acid
CID 21630752
(R)-2-(Hex-5-enyloxy)propanoic acid
CID 53217075
Oct-1-en-4-yl 2-hydroxyacetate
CID 53782157
2-Hex-1-en-3-yloxyacetic acid
CID 57179955

Frequently Asked Questions

What is the IUPAC name of 2-hept-1-en-3-yloxyacetic acid?
The IUPAC name of 2-hept-1-en-3-yloxyacetic acid (CID 10607291) is 2-hept-1-en-3-yloxyacetic acid.
What is the SMILES notation for 2-hept-1-en-3-yloxyacetic acid?
The canonical SMILES for 2-hept-1-en-3-yloxyacetic acid is C=CC(CCCC)OCC(=O)O.
What is the InChIKey of 2-hept-1-en-3-yloxyacetic acid?
The InChIKey is UFQIBPXIJSFKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-6-8(4-2)12-7-9(10)11/h4,8H,2-3,5-7H2,1H3,(H,10,11).
What are the key properties of 2-hept-1-en-3-yloxyacetic acid?
2-hept-1-en-3-yloxyacetic acid has a molecular weight of 172.22 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-1-en-3-yloxyacetic acid is sourced from PubChem (CID 10607291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).