1-ethenoxy-2,2-dimethylbutane

C8H16O — CID 19077765

IUPAC1-ethenoxy-2,2-dimethylbutane
SMILESC=COCC(C)(C)CC
InChIInChI=1S/C8H16O/c1-5-8(3,4)7-9-6-2/h6H,2,5,7H2,1,3-4H3
InChIKeyGMAGPTHCQMXRJY-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds4

About 1-ethenoxy-2,2-dimethylbutane

1-ethenoxy-2,2-dimethylbutane (PubChem CID 19077765) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethylbutane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethylbutane
PubChem CID19077765
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-ethenoxy-2,2-dimethylbutane
SMILESC=COCC(C)(C)CC
InChIInChI=1S/C8H16O/c1-5-8(3,4)7-9-6-2/h6H,2,5,7H2,1,3-4H3
InChIKeyGMAGPTHCQMXRJY-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.58
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-dimethylbutane?
The IUPAC name of 1-ethenoxy-2,2-dimethylbutane (CID 19077765) is 1-ethenoxy-2,2-dimethylbutane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethylbutane?
The canonical SMILES for 1-ethenoxy-2,2-dimethylbutane is C=COCC(C)(C)CC.
What is the InChIKey of 1-ethenoxy-2,2-dimethylbutane?
The InChIKey is GMAGPTHCQMXRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(3,4)7-9-6-2/h6H,2,5,7H2,1,3-4H3.
What are the key properties of 1-ethenoxy-2,2-dimethylbutane?
1-ethenoxy-2,2-dimethylbutane has a molecular weight of 128.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-dimethylbutane is sourced from PubChem (CID 19077765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).