acetic acid;1-(2-methoxyethoxy)prop-1-ene

C8H16O4 — CID 118619515

IUPACacetic acid;1-(2-methoxyethoxy)prop-1-ene
SMILESCC(=O)O.CC=COCCOC
InChIInChI=1S/C6H12O2.C2H4O2/c1-3-4-8-6-5-7-2;1-2(3)4/h3-4H,5-6H2,1-2H3;1H3,(H,3,4)
InChIKeyJHROGYRUCZYOPZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.27
Rot. Bonds4

About acetic acid;1-(2-methoxyethoxy)prop-1-ene

acetic acid;1-(2-methoxyethoxy)prop-1-ene (PubChem CID 118619515) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is acetic acid;1-(2-methoxyethoxy)prop-1-ene.

Molecular Properties

Compound Nameacetic acid;1-(2-methoxyethoxy)prop-1-ene
PubChem CID118619515
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameacetic acid;1-(2-methoxyethoxy)prop-1-ene
SMILESCC(=O)O.CC=COCCOC
InChIInChI=1S/C6H12O2.C2H4O2/c1-3-4-8-6-5-7-2;1-2(3)4/h3-4H,5-6H2,1-2H3;1H3,(H,3,4)
InChIKeyJHROGYRUCZYOPZ-UHFFFAOYSA-N
XLogP1.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2-methoxyethoxy)prop-1-ene?
The IUPAC name of acetic acid;1-(2-methoxyethoxy)prop-1-ene (CID 118619515) is acetic acid;1-(2-methoxyethoxy)prop-1-ene.
What is the SMILES notation for acetic acid;1-(2-methoxyethoxy)prop-1-ene?
The canonical SMILES for acetic acid;1-(2-methoxyethoxy)prop-1-ene is CC(=O)O.CC=COCCOC.
What is the InChIKey of acetic acid;1-(2-methoxyethoxy)prop-1-ene?
The InChIKey is JHROGYRUCZYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H4O2/c1-3-4-8-6-5-7-2;1-2(3)4/h3-4H,5-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(2-methoxyethoxy)prop-1-ene?
acetic acid;1-(2-methoxyethoxy)prop-1-ene has a molecular weight of 176.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2-methoxyethoxy)prop-1-ene is sourced from PubChem (CID 118619515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).