1-ethenoxy-2-methylbutane

C7H14O — CID 19917295

IUPAC1-ethenoxy-2-methylbutane
SMILESC=COCC(C)CC
InChIInChI=1S/C7H14O/c1-4-7(3)6-8-5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyBHBDKPKKEYKKQB-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.19
Rot. Bonds4

About 1-ethenoxy-2-methylbutane

1-ethenoxy-2-methylbutane (PubChem CID 19917295) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-ethenoxy-2-methylbutane.

Molecular Properties

Compound Name1-ethenoxy-2-methylbutane
PubChem CID19917295
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-ethenoxy-2-methylbutane
SMILESC=COCC(C)CC
InChIInChI=1S/C7H14O/c1-4-7(3)6-8-5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyBHBDKPKKEYKKQB-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylbutane?
The IUPAC name of 1-ethenoxy-2-methylbutane (CID 19917295) is 1-ethenoxy-2-methylbutane.
What is the SMILES notation for 1-ethenoxy-2-methylbutane?
The canonical SMILES for 1-ethenoxy-2-methylbutane is C=COCC(C)CC.
What is the InChIKey of 1-ethenoxy-2-methylbutane?
The InChIKey is BHBDKPKKEYKKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-7(3)6-8-5-2/h5,7H,2,4,6H2,1,3H3.
What are the key properties of 1-ethenoxy-2-methylbutane?
1-ethenoxy-2-methylbutane has a molecular weight of 114.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylbutane is sourced from PubChem (CID 19917295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).