1-ethenoxy-2,2-dimethylpropane

C7H14O — CID 14897351

IUPAC1-ethenoxy-2,2-dimethylpropane
SMILESC=COCC(C)(C)C
InChIInChI=1S/C7H14O/c1-5-8-6-7(2,3)4/h5H,1,6H2,2-4H3
InChIKeyGJNDXPONYMDBFD-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.19
Rot. Bonds2

About 1-ethenoxy-2,2-dimethylpropane

1-ethenoxy-2,2-dimethylpropane (PubChem CID 14897351) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethylpropane
PubChem CID14897351
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-ethenoxy-2,2-dimethylpropane
SMILESC=COCC(C)(C)C
InChIInChI=1S/C7H14O/c1-5-8-6-7(2,3)4/h5H,1,6H2,2-4H3
InChIKeyGJNDXPONYMDBFD-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-2,2-dimethylpropane?
The IUPAC name of 1-ethenoxy-2,2-dimethylpropane (CID 14897351) is 1-ethenoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethylpropane?
The canonical SMILES for 1-ethenoxy-2,2-dimethylpropane is C=COCC(C)(C)C.
What is the InChIKey of 1-ethenoxy-2,2-dimethylpropane?
The InChIKey is GJNDXPONYMDBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-5-8-6-7(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of 1-ethenoxy-2,2-dimethylpropane?
1-ethenoxy-2,2-dimethylpropane has a molecular weight of 114.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-dimethylpropane is sourced from PubChem (CID 14897351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).