2-ethenoxy-2-methylpentane

C8H16O — CID 89232714

IUPAC2-ethenoxy-2-methylpentane
SMILESC=COC(C)(C)CCC
InChIInChI=1S/C8H16O/c1-5-7-8(3,4)9-6-2/h6H,2,5,7H2,1,3-4H3
InChIKeyULZQISXOEKFYFA-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds4

About 2-ethenoxy-2-methylpentane

2-ethenoxy-2-methylpentane (PubChem CID 89232714) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-ethenoxy-2-methylpentane.

Molecular Properties

Compound Name2-ethenoxy-2-methylpentane
PubChem CID89232714
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-ethenoxy-2-methylpentane
SMILESC=COC(C)(C)CCC
InChIInChI=1S/C8H16O/c1-5-7-8(3,4)9-6-2/h6H,2,5,7H2,1,3-4H3
InChIKeyULZQISXOEKFYFA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenoxy-2-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethyl-3-vinyloxy-pentane
CID 19077772
2,5-Dimethyl-2,5-hexanediol divinyl ether
CID 12040126
3-Ethenoxy-3-ethylpentane
CID 22026187
2-Ethenoxy-3-fluoro-2,4-dimethylpentane
CID 174314072
3-Ethenoxy-3-methylpentane
CID 11400780
1-Ethenoxy-2-methylpentane
CID 14454734
2-Ethenoxy-4-methylpentane
CID 21930795
1-Ethenoxy-4-methylpentane
CID 22665202
2-Ethenoxy-2,4,4-trimethylpentane
CID 87178566
3-Ethenoxy-2,3-dimethylpentane
CID 87975261
2-Ethenoxy-2-methylhexane
CID 100949797
3-Ethenoxy-2-methyl-3-propan-2-ylhexane
CID 141071464

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-2-methylpentane?
The IUPAC name of 2-ethenoxy-2-methylpentane (CID 89232714) is 2-ethenoxy-2-methylpentane.
What is the SMILES notation for 2-ethenoxy-2-methylpentane?
The canonical SMILES for 2-ethenoxy-2-methylpentane is C=COC(C)(C)CCC.
What is the InChIKey of 2-ethenoxy-2-methylpentane?
The InChIKey is ULZQISXOEKFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-7-8(3,4)9-6-2/h6H,2,5,7H2,1,3-4H3.
What are the key properties of 2-ethenoxy-2-methylpentane?
2-ethenoxy-2-methylpentane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-methylpentane is sourced from PubChem (CID 89232714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).