1-ethenoxy-2-methylpentane

C8H16O — CID 14454734

IUPAC1-ethenoxy-2-methylpentane
SMILESC=COCC(C)CCC
InChIInChI=1S/C8H16O/c1-4-6-8(3)7-9-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyRPKNYWBXKSZOPY-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds5

About 1-ethenoxy-2-methylpentane

1-ethenoxy-2-methylpentane (PubChem CID 14454734) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpentane.

Molecular Properties

Compound Name1-ethenoxy-2-methylpentane
PubChem CID14454734
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-ethenoxy-2-methylpentane
SMILESC=COCC(C)CCC
InChIInChI=1S/C8H16O/c1-4-6-8(3)7-9-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyRPKNYWBXKSZOPY-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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-methylpentane?
The IUPAC name of 1-ethenoxy-2-methylpentane (CID 14454734) is 1-ethenoxy-2-methylpentane.
What is the SMILES notation for 1-ethenoxy-2-methylpentane?
The canonical SMILES for 1-ethenoxy-2-methylpentane is C=COCC(C)CCC.
What is the InChIKey of 1-ethenoxy-2-methylpentane?
The InChIKey is RPKNYWBXKSZOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-8(3)7-9-5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 1-ethenoxy-2-methylpentane?
1-ethenoxy-2-methylpentane has a molecular weight of 128.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpentane is sourced from PubChem (CID 14454734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).