1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one

C15H26O4 — CID 20740947

IUPAC1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one
SMILESC=CCOCC(CC)(COCC=C)COCC(C)=O
InChIInChI=1S/C15H26O4/c1-5-8-17-11-15(7-3,12-18-9-6-2)13-19-10-14(4)16/h5-6H,1-2,7-13H2,3-4H3
InChIKeyIMENMAWWHPRHMV-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.39
Rot. Bonds13

About 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one

1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one (PubChem CID 20740947) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one.

Molecular Properties

Compound Name1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one
PubChem CID20740947
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one
SMILESC=CCOCC(CC)(COCC=C)COCC(C)=O
InChIInChI=1S/C15H26O4/c1-5-8-17-11-15(7-3,12-18-9-6-2)13-19-10-14(4)16/h5-6H,1-2,7-13H2,3-4H3
InChIKeyIMENMAWWHPRHMV-UHFFFAOYSA-N
XLogP2.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2,2-Bis(prop-2-enoxymethyl)butoxy]but-3-en-2-one
CID 20740944
2-[2,2-Bis(prop-2-enoxymethyl)butoxy]acetaldehyde
CID 54243283
2,2-Bis(prop-2-enoxymethyl)butyl 2-oxoacetate
CID 145852804
3,3-Dimethyl-1-prop-2-enoxybutan-2-one
CID 62029480
1-But-2-enoxy-3,3-dimethylbutan-2-one
CID 76938275

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one?
The IUPAC name of 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one (CID 20740947) is 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one.
What is the SMILES notation for 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one?
The canonical SMILES for 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one is C=CCOCC(CC)(COCC=C)COCC(C)=O.
What is the InChIKey of 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one?
The InChIKey is IMENMAWWHPRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-8-17-11-15(7-3,12-18-9-6-2)13-19-10-14(4)16/h5-6H,1-2,7-13H2,3-4H3.
What are the key properties of 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one?
1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one has a molecular weight of 270.37 g/mol, XLogP of 2.39, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(prop-2-enoxymethyl)butoxy]propan-2-one is sourced from PubChem (CID 20740947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).