1-ethylselanylpentane

C7H16Se — CID 132605439

IUPAC1-ethylselanylpentane
SMILESCCCCC[Se]CC
InChIInChI=1S/C7H16Se/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3
InChIKeyYKPFBEGJCZPOEQ-UHFFFAOYSA-N
MW179.16 g/mol
LogP2.74
Rot. Bonds5

About 1-ethylselanylpentane

1-ethylselanylpentane (PubChem CID 132605439) has the molecular formula C7H16Se and a molecular weight of 179.16 g/mol. Its IUPAC name is 1-ethylselanylpentane.

Molecular Properties

Compound Name1-ethylselanylpentane
PubChem CID132605439
Molecular FormulaC7H16Se
Molecular Weight179.16 g/mol
Exact Mass180.04
IUPAC Name1-ethylselanylpentane
SMILESCCCCC[Se]CC
InChIInChI=1S/C7H16Se/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3
InChIKeyYKPFBEGJCZPOEQ-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-ethylselanylpentane 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

1-pentylselanylpentane
CID 14123296
1-(pentyldiselanyl)pentane
CID 11012010
octadecane;titanium
CID 161312984
1-methylselanyltridecane
CID 139266483
hexane dicyanide
CID 159336841
azanium;octacosane;chloride
CID 172810874
azanium;dodecane;chloride
CID 172693740
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;tetrahydrate
CID 174107213

Frequently Asked Questions

What is the IUPAC name of 1-ethylselanylpentane?
The IUPAC name of 1-ethylselanylpentane (CID 132605439) is 1-ethylselanylpentane.
What is the SMILES notation for 1-ethylselanylpentane?
The canonical SMILES for 1-ethylselanylpentane is CCCCC[Se]CC.
What is the InChIKey of 1-ethylselanylpentane?
The InChIKey is YKPFBEGJCZPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Se/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3.
What are the key properties of 1-ethylselanylpentane?
1-ethylselanylpentane has a molecular weight of 179.16 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylselanylpentane is sourced from PubChem (CID 132605439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).