1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane

C11H20O2 — CID 57159549

IUPAC1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
SMILESC=CCOCC(CC)COCC=C
InChIInChI=1S/C11H20O2/c1-4-7-12-9-11(6-3)10-13-8-5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyDKUBCHUUCXUACY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds9

About 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane

1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane (PubChem CID 57159549) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane.

Molecular Properties

Compound Name1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
PubChem CID57159549
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
SMILESC=CCOCC(CC)COCC=C
InChIInChI=1S/C11H20O2/c1-4-7-12-9-11(6-3)10-13-8-5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyDKUBCHUUCXUACY-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
The IUPAC name of 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane (CID 57159549) is 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane.
What is the SMILES notation for 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
The canonical SMILES for 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane is C=CCOCC(CC)COCC=C.
What is the InChIKey of 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
The InChIKey is DKUBCHUUCXUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-12-9-11(6-3)10-13-8-5-2/h4-5,11H,1-2,6-10H2,3H3.
What are the key properties of 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane has a molecular weight of 184.28 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane is sourced from PubChem (CID 57159549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).