1-ethenoxypentane

C7H14O — CID 21459

IUPAC1-ethenoxypentane
SMILESC=COCCCCC
InChIInChI=1S/C7H14O/c1-3-5-6-7-8-4-2/h4H,2-3,5-7H2,1H3
InChIKeyIOSXLUZXMXORMX-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds5

About 1-ethenoxypentane

1-ethenoxypentane (PubChem CID 21459) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-ethenoxypentane.

Molecular Properties

Compound Name1-ethenoxypentane
PubChem CID21459
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-ethenoxypentane
SMILESC=COCCCCC
InChIInChI=1S/C7H14O/c1-3-5-6-7-8-4-2/h4H,2-3,5-7H2,1H3
InChIKeyIOSXLUZXMXORMX-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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-ethenoxypentane?
The IUPAC name of 1-ethenoxypentane (CID 21459) is 1-ethenoxypentane.
What is the SMILES notation for 1-ethenoxypentane?
The canonical SMILES for 1-ethenoxypentane is C=COCCCCC.
What is the InChIKey of 1-ethenoxypentane?
The InChIKey is IOSXLUZXMXORMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-6-7-8-4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-ethenoxypentane?
1-ethenoxypentane has a molecular weight of 114.19 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypentane is sourced from PubChem (CID 21459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).