1-[(E)-prop-1-enyl]selanylhexane

C9H18Se — CID 10679744

IUPAC1-[(E)-prop-1-enyl]selanylhexane
SMILESC/C=C/[Se]CCCCCC
InChIInChI=1S/C9H18Se/c1-3-5-6-7-9-10-8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+
InChIKeyKZJAFLCCPLKCIX-XBXARRHUSA-N
MW205.20 g/mol
LogP3.22
Rot. Bonds6

About 1-[(E)-prop-1-enyl]selanylhexane

1-[(E)-prop-1-enyl]selanylhexane (PubChem CID 10679744) has the molecular formula C9H18Se and a molecular weight of 205.20 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]selanylhexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]selanylhexane
PubChem CID10679744
Molecular FormulaC9H18Se
Molecular Weight205.20 g/mol
Exact Mass206.06
IUPAC Name1-[(E)-prop-1-enyl]selanylhexane
SMILESC/C=C/[Se]CCCCCC
InChIInChI=1S/C9H18Se/c1-3-5-6-7-9-10-8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+
InChIKeyKZJAFLCCPLKCIX-XBXARRHUSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]selanylhexane?
The IUPAC name of 1-[(E)-prop-1-enyl]selanylhexane (CID 10679744) is 1-[(E)-prop-1-enyl]selanylhexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]selanylhexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]selanylhexane is C/C=C/[Se]CCCCCC.
What is the InChIKey of 1-[(E)-prop-1-enyl]selanylhexane?
The InChIKey is KZJAFLCCPLKCIX-XBXARRHUSA-N. The full InChI is InChI=1S/C9H18Se/c1-3-5-6-7-9-10-8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+.
What are the key properties of 1-[(E)-prop-1-enyl]selanylhexane?
1-[(E)-prop-1-enyl]selanylhexane has a molecular weight of 205.20 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]selanylhexane is sourced from PubChem (CID 10679744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).