2-(methoxymethoxy)hex-5-enoic acid

C8H14O4 — CID 72990742

IUPAC2-(methoxymethoxy)hex-5-enoic acid
SMILESC=CCCC(OCOC)C(=O)O
InChIInChI=1S/C8H14O4/c1-3-4-5-7(8(9)10)12-6-11-2/h3,7H,1,4-6H2,2H3,(H,9,10)
InChIKeyJLGFTZHXEKWGJW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.03
Rot. Bonds7

About 2-(methoxymethoxy)hex-5-enoic acid

2-(methoxymethoxy)hex-5-enoic acid (PubChem CID 72990742) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(methoxymethoxy)hex-5-enoic acid.

Molecular Properties

Compound Name2-(methoxymethoxy)hex-5-enoic acid
PubChem CID72990742
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(methoxymethoxy)hex-5-enoic acid
SMILESC=CCCC(OCOC)C(=O)O
InChIInChI=1S/C8H14O4/c1-3-4-5-7(8(9)10)12-6-11-2/h3,7H,1,4-6H2,2H3,(H,9,10)
InChIKeyJLGFTZHXEKWGJW-UHFFFAOYSA-N
XLogP1.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)hex-5-enoic acid?
The IUPAC name of 2-(methoxymethoxy)hex-5-enoic acid (CID 72990742) is 2-(methoxymethoxy)hex-5-enoic acid.
What is the SMILES notation for 2-(methoxymethoxy)hex-5-enoic acid?
The canonical SMILES for 2-(methoxymethoxy)hex-5-enoic acid is C=CCCC(OCOC)C(=O)O.
What is the InChIKey of 2-(methoxymethoxy)hex-5-enoic acid?
The InChIKey is JLGFTZHXEKWGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-4-5-7(8(9)10)12-6-11-2/h3,7H,1,4-6H2,2H3,(H,9,10).
What are the key properties of 2-(methoxymethoxy)hex-5-enoic acid?
2-(methoxymethoxy)hex-5-enoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)hex-5-enoic acid is sourced from PubChem (CID 72990742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).