1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol

C10H18OSSe — CID 11086671

IUPAC1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol
SMILESC=CC(O)C[Se]C(=C)SCCCC
InChIInChI=1S/C10H18OSSe/c1-4-6-7-12-9(3)13-8-10(11)5-2/h5,10-11H,2-4,6-8H2,1H3
InChIKeyLOZXBCGKCUHPQP-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.66
Rot. Bonds8

About 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol

1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol (PubChem CID 11086671) has the molecular formula C10H18OSSe and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol.

Molecular Properties

Compound Name1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol
PubChem CID11086671
Molecular FormulaC10H18OSSe
Molecular Weight265.28 g/mol
Exact Mass266.02
IUPAC Name1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol
SMILESC=CC(O)C[Se]C(=C)SCCCC
InChIInChI=1S/C10H18OSSe/c1-4-6-7-12-9(3)13-8-10(11)5-2/h5,10-11H,2-4,6-8H2,1H3
InChIKeyLOZXBCGKCUHPQP-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol?
The IUPAC name of 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol (CID 11086671) is 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol.
What is the SMILES notation for 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol?
The canonical SMILES for 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol is C=CC(O)C[Se]C(=C)SCCCC.
What is the InChIKey of 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol?
The InChIKey is LOZXBCGKCUHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSSe/c1-4-6-7-12-9(3)13-8-10(11)5-2/h5,10-11H,2-4,6-8H2,1H3.
What are the key properties of 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol?
1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol has a molecular weight of 265.28 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfanylethenylselanyl)but-3-en-2-ol is sourced from PubChem (CID 11086671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).