1-ethenoxy-3-methoxypropane

C6H12O2 — CID 22058891

IUPAC1-ethenoxy-3-methoxypropane
SMILESC=COCCCOC
InChIInChI=1S/C6H12O2/c1-3-8-6-4-5-7-2/h3H,1,4-6H2,2H3
InChIKeyYFUMKDXIKGOQDA-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.18
Rot. Bonds5

About 1-ethenoxy-3-methoxypropane

1-ethenoxy-3-methoxypropane (PubChem CID 22058891) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-ethenoxy-3-methoxypropane.

Molecular Properties

Compound Name1-ethenoxy-3-methoxypropane
PubChem CID22058891
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-ethenoxy-3-methoxypropane
SMILESC=COCCCOC
InChIInChI=1S/C6H12O2/c1-3-8-6-4-5-7-2/h3H,1,4-6H2,2H3
InChIKeyYFUMKDXIKGOQDA-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-3-methoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
1-ethenoxy-2-methoxyethane
CID 15457
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxybutane;hydrate
CID 174447139
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
1-ethenoxytriacontane
CID 14647805
1-ethenoxy-4-methylpentane
CID 22665202
3-ethenoxypropyl(trimethyl)silane
CID 23363376
1-ethenoxy-4,4-dimethylpentane
CID 58671996
1-(2-bromoethoxy)-3-ethenoxypropane
CID 139639729

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-methoxypropane?
The IUPAC name of 1-ethenoxy-3-methoxypropane (CID 22058891) is 1-ethenoxy-3-methoxypropane.
What is the SMILES notation for 1-ethenoxy-3-methoxypropane?
The canonical SMILES for 1-ethenoxy-3-methoxypropane is C=COCCCOC.
What is the InChIKey of 1-ethenoxy-3-methoxypropane?
The InChIKey is YFUMKDXIKGOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-8-6-4-5-7-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-ethenoxy-3-methoxypropane?
1-ethenoxy-3-methoxypropane has a molecular weight of 116.16 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-methoxypropane is sourced from PubChem (CID 22058891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).