6-prop-2-enoyloxyhexanoic acid

C9H14O4 — CID 15936996

IUPAC6-prop-2-enoyloxyhexanoic acid
SMILESC=CC(=O)OCCCCCC(=O)O
InChIInChI=1S/C9H14O4/c1-2-9(12)13-7-5-3-4-6-8(10)11/h2H,1,3-7H2,(H,10,11)
InChIKeyJSZCJJRQCFZXCI-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.36
Rot. Bonds7

About 6-prop-2-enoyloxyhexanoic acid

6-prop-2-enoyloxyhexanoic acid (PubChem CID 15936996) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-prop-2-enoyloxyhexanoic acid.

Molecular Properties

Compound Name6-prop-2-enoyloxyhexanoic acid
PubChem CID15936996
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name6-prop-2-enoyloxyhexanoic acid
SMILESC=CC(=O)OCCCCCC(=O)O
InChIInChI=1S/C9H14O4/c1-2-9(12)13-7-5-3-4-6-8(10)11/h2H,1,3-7H2,(H,10,11)
InChIKeyJSZCJJRQCFZXCI-UHFFFAOYSA-N
XLogP1.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyloxyhexanoic acid?
The IUPAC name of 6-prop-2-enoyloxyhexanoic acid (CID 15936996) is 6-prop-2-enoyloxyhexanoic acid.
What is the SMILES notation for 6-prop-2-enoyloxyhexanoic acid?
The canonical SMILES for 6-prop-2-enoyloxyhexanoic acid is C=CC(=O)OCCCCCC(=O)O.
What is the InChIKey of 6-prop-2-enoyloxyhexanoic acid?
The InChIKey is JSZCJJRQCFZXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-9(12)13-7-5-3-4-6-8(10)11/h2H,1,3-7H2,(H,10,11).
What are the key properties of 6-prop-2-enoyloxyhexanoic acid?
6-prop-2-enoyloxyhexanoic acid has a molecular weight of 186.21 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyloxyhexanoic acid is sourced from PubChem (CID 15936996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).