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

C12H22O2 — CID 58115661

IUPAC3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
SMILESC=CCOCC(COCC=C)C(C)C
InChIInChI=1S/C12H22O2/c1-5-7-13-9-12(11(3)4)10-14-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyJNEYQGANPYTTFJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds9

About 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane

3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane (PubChem CID 58115661) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane.

Molecular Properties

Compound Name3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
PubChem CID58115661
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
SMILESC=CCOCC(COCC=C)C(C)C
InChIInChI=1S/C12H22O2/c1-5-7-13-9-12(11(3)4)10-14-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyJNEYQGANPYTTFJ-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
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 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
The IUPAC name of 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane (CID 58115661) is 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane.
What is the SMILES notation for 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
The canonical SMILES for 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane is C=CCOCC(COCC=C)C(C)C.
What is the InChIKey of 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
The InChIKey is JNEYQGANPYTTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-7-13-9-12(11(3)4)10-14-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane?
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane has a molecular weight of 198.31 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane is sourced from PubChem (CID 58115661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).