1-methylselanyltridecane

C14H30Se — CID 139266483

IUPAC1-methylselanyltridecane
SMILESCCCCCCCCCCCCC[Se]C
InChIInChI=1S/C14H30Se/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h3-14H2,1-2H3
InChIKeyKJBHEQQWSITQMK-UHFFFAOYSA-N
MW277.35 g/mol
LogP5.47
Rot. Bonds12

About 1-methylselanyltridecane

1-methylselanyltridecane (PubChem CID 139266483) has the molecular formula C14H30Se and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-methylselanyltridecane.

Molecular Properties

Compound Name1-methylselanyltridecane
PubChem CID139266483
Molecular FormulaC14H30Se
Molecular Weight277.35 g/mol
Exact Mass278.15
IUPAC Name1-methylselanyltridecane
SMILESCCCCCCCCCCCCC[Se]C
InChIInChI=1S/C14H30Se/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h3-14H2,1-2H3
InChIKeyKJBHEQQWSITQMK-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.35
LogP ≤ 55.47
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'}

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Related Compounds

octadecane;titanium
CID 161312984
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of 1-methylselanyltridecane?
The IUPAC name of 1-methylselanyltridecane (CID 139266483) is 1-methylselanyltridecane.
What is the SMILES notation for 1-methylselanyltridecane?
The canonical SMILES for 1-methylselanyltridecane is CCCCCCCCCCCCC[Se]C.
What is the InChIKey of 1-methylselanyltridecane?
The InChIKey is KJBHEQQWSITQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Se/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h3-14H2,1-2H3.
What are the key properties of 1-methylselanyltridecane?
1-methylselanyltridecane has a molecular weight of 277.35 g/mol, XLogP of 5.47, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylselanyltridecane is sourced from PubChem (CID 139266483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).