1-ethenoxy-3-methylpentane

C8H16O — CID 20607526

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

About 1-ethenoxy-3-methylpentane

1-ethenoxy-3-methylpentane (PubChem CID 20607526) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-ethenoxy-3-methylpentane.

Molecular Properties

Compound Name1-ethenoxy-3-methylpentane
PubChem CID20607526
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-ethenoxy-3-methylpentane
SMILESC=COCCC(C)CC
InChIInChI=1S/C8H16O/c1-4-8(3)6-7-9-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyKIEKHFAKTFLUGJ-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-methylpentane?
The IUPAC name of 1-ethenoxy-3-methylpentane (CID 20607526) is 1-ethenoxy-3-methylpentane.
What is the SMILES notation for 1-ethenoxy-3-methylpentane?
The canonical SMILES for 1-ethenoxy-3-methylpentane is C=COCCC(C)CC.
What is the InChIKey of 1-ethenoxy-3-methylpentane?
The InChIKey is KIEKHFAKTFLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-8(3)6-7-9-5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 1-ethenoxy-3-methylpentane?
1-ethenoxy-3-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-3-methylpentane is sourced from PubChem (CID 20607526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).