(2R)-2-hex-5-enoxypropanoic acid

C9H16O3 — CID 53217075

IUPAC(2R)-2-hex-5-enoxypropanoic acid
SMILESC=CCCCCO[C@H](C)C(=O)O
InChIInChI=1S/C9H16O3/c1-3-4-5-6-7-12-8(2)9(10)11/h3,8H,1,4-7H2,2H3,(H,10,11)/t8-/m1/s1
InChIKeyAJARURYEKUWTFJ-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.83
Rot. Bonds7

About (2R)-2-hex-5-enoxypropanoic acid

(2R)-2-hex-5-enoxypropanoic acid (PubChem CID 53217075) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R)-2-hex-5-enoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-hex-5-enoxypropanoic acid
PubChem CID53217075
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R)-2-hex-5-enoxypropanoic acid
SMILESC=CCCCCO[C@H](C)C(=O)O
InChIInChI=1S/C9H16O3/c1-3-4-5-6-7-12-8(2)9(10)11/h3,8H,1,4-7H2,2H3,(H,10,11)/t8-/m1/s1
InChIKeyAJARURYEKUWTFJ-MRVPVSSYSA-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': '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 (2R)-2-hex-5-enoxypropanoic acid?
The IUPAC name of (2R)-2-hex-5-enoxypropanoic acid (CID 53217075) is (2R)-2-hex-5-enoxypropanoic acid.
What is the SMILES notation for (2R)-2-hex-5-enoxypropanoic acid?
The canonical SMILES for (2R)-2-hex-5-enoxypropanoic acid is C=CCCCCO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-hex-5-enoxypropanoic acid?
The InChIKey is AJARURYEKUWTFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-4-5-6-7-12-8(2)9(10)11/h3,8H,1,4-7H2,2H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (2R)-2-hex-5-enoxypropanoic acid?
(2R)-2-hex-5-enoxypropanoic 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 (2R)-2-hex-5-enoxypropanoic acid is sourced from PubChem (CID 53217075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).