1-prop-1-enoxypentane

C8H16O — CID 57167055

IUPAC1-prop-1-enoxypentane
SMILESCC=COCCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-8-9-7-4-2/h4,7H,3,5-6,8H2,1-2H3
InChIKeyKFQCWYNSQDPIAE-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds5

About 1-prop-1-enoxypentane

1-prop-1-enoxypentane (PubChem CID 57167055) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-prop-1-enoxypentane.

Molecular Properties

Compound Name1-prop-1-enoxypentane
PubChem CID57167055
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-prop-1-enoxypentane
SMILESCC=COCCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-8-9-7-4-2/h4,7H,3,5-6,8H2,1-2H3
InChIKeyKFQCWYNSQDPIAE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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'}

Analyze 1-prop-1-enoxypentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxypentane?
The IUPAC name of 1-prop-1-enoxypentane (CID 57167055) is 1-prop-1-enoxypentane.
What is the SMILES notation for 1-prop-1-enoxypentane?
The canonical SMILES for 1-prop-1-enoxypentane is CC=COCCCCC.
What is the InChIKey of 1-prop-1-enoxypentane?
The InChIKey is KFQCWYNSQDPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-8-9-7-4-2/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 1-prop-1-enoxypentane?
1-prop-1-enoxypentane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxypentane is sourced from PubChem (CID 57167055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).