1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate

C20H38O7 — CID 525179

IUPAC1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
SMILESC=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O
InChIInChI=1S/C20H38O7/c1-8-9-22-10-15(2)23-11-16(3)24-12-17(4)25-13-18(5)26-14-19(6)27-20(7)21/h8,15-19H,1,9-14H2,2-7H3
InChIKeyJJTCCLQKCXQLOF-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.76
Rot. Bonds17

About 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate

1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate (PubChem CID 525179) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate.

Molecular Properties

Compound Name1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
PubChem CID525179
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
SMILESC=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O
InChIInChI=1S/C20H38O7/c1-8-9-22-10-15(2)23-11-16(3)24-12-17(4)25-13-18(5)26-14-19(6)27-20(7)21/h8,15-19H,1,9-14H2,2-7H3
InChIKeyJJTCCLQKCXQLOF-UHFFFAOYSA-N
XLogP2.76
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
The IUPAC name of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate (CID 525179) is 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate.
What is the SMILES notation for 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
The canonical SMILES for 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate is C=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O.
What is the InChIKey of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
The InChIKey is JJTCCLQKCXQLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-8-9-22-10-15(2)23-11-16(3)24-12-17(4)25-13-18(5)26-14-19(6)27-20(7)21/h8,15-19H,1,9-14H2,2-7H3.
What are the key properties of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate has a molecular weight of 390.52 g/mol, XLogP of 2.76, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate is sourced from PubChem (CID 525179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).