1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane

C12H24O5 — CID 154139075

IUPAC1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane
SMILESCCCOC(OCC)=C(OCOC)OC(C)C
InChIInChI=1S/C12H24O5/c1-6-8-15-11(14-7-2)12(16-9-13-5)17-10(3)4/h10H,6-9H2,1-5H3
InChIKeyPBQBMMJEOCMCDK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.62
Rot. Bonds10

About 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane

1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane (PubChem CID 154139075) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane.

Molecular Properties

Compound Name1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane
PubChem CID154139075
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane
SMILESCCCOC(OCC)=C(OCOC)OC(C)C
InChIInChI=1S/C12H24O5/c1-6-8-15-11(14-7-2)12(16-9-13-5)17-10(3)4/h10H,6-9H2,1-5H3
InChIKeyPBQBMMJEOCMCDK-UHFFFAOYSA-N
XLogP2.62
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane 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

2-(1,2-diethoxy-2-methoxyethenoxy)propane
CID 154128100
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 166757534
1-(methoxymethoxy)-1,2-dipentoxypent-1-ene
CID 166757454
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
(Z)-1,2-dibutoxy-1-(methoxymethoxy)dec-1-ene
CID 166757933
1-[1-(methoxymethoxy)-1-octoxyhex-1-en-2-yl]oxyoctane
CID 166758231
1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758083
1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
CID 166757481
(Z)-1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758082
1-O-propan-2-yl 3-O-propyl 2-oxopropanedioate
CID 54225091
1-O-ethyl 2-O-propyl oxalate
CID 6420312

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane?
The IUPAC name of 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane (CID 154139075) is 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane.
What is the SMILES notation for 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane?
The canonical SMILES for 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane is CCCOC(OCC)=C(OCOC)OC(C)C.
What is the InChIKey of 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane?
The InChIKey is PBQBMMJEOCMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-6-8-15-11(14-7-2)12(16-9-13-5)17-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane?
1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane has a molecular weight of 248.32 g/mol, XLogP of 2.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethoxy-2-(methoxymethoxy)-2-propan-2-yloxyethenoxy]propane is sourced from PubChem (CID 154139075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).