2-oct-1-en-3-yloxyacetic acid

C10H18O3 — CID 12648843

IUPAC2-oct-1-en-3-yloxyacetic acid
SMILESC=CC(CCCCC)OCC(=O)O
InChIInChI=1S/C10H18O3/c1-3-5-6-7-9(4-2)13-8-10(11)12/h4,9H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyNSERHMBJVNBDRP-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.22
Rot. Bonds8

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

2-oct-1-en-3-yloxyacetic acid (PubChem CID 12648843) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-oct-1-en-3-yloxyacetic acid.

Molecular Properties

Compound Name2-oct-1-en-3-yloxyacetic acid
PubChem CID12648843
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-oct-1-en-3-yloxyacetic acid
SMILESC=CC(CCCCC)OCC(=O)O
InChIInChI=1S/C10H18O3/c1-3-5-6-7-9(4-2)13-8-10(11)12/h4,9H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyNSERHMBJVNBDRP-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oct-1-en-3-yloxyacetic acid?
The IUPAC name of 2-oct-1-en-3-yloxyacetic acid (CID 12648843) is 2-oct-1-en-3-yloxyacetic acid.
What is the SMILES notation for 2-oct-1-en-3-yloxyacetic acid?
The canonical SMILES for 2-oct-1-en-3-yloxyacetic acid is C=CC(CCCCC)OCC(=O)O.
What is the InChIKey of 2-oct-1-en-3-yloxyacetic acid?
The InChIKey is NSERHMBJVNBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-6-7-9(4-2)13-8-10(11)12/h4,9H,2-3,5-8H2,1H3,(H,11,12).
What are the key properties of 2-oct-1-en-3-yloxyacetic acid?
2-oct-1-en-3-yloxyacetic acid has a molecular weight of 186.25 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-en-3-yloxyacetic acid is sourced from PubChem (CID 12648843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).