1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol

C10H19ClOSSe — CID 134875771

IUPAC1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol
SMILESC=C(SCCCC)[Se]CC(C)(O)CCl
InChIInChI=1S/C10H19ClOSSe/c1-4-5-6-13-9(2)14-8-10(3,12)7-11/h12H,2,4-8H2,1,3H3
InChIKeyJZHWIQGOTPHWSG-UHFFFAOYSA-N
MW301.74 g/mol
LogP3.10
Rot. Bonds8

About 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol

1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol (PubChem CID 134875771) has the molecular formula C10H19ClOSSe and a molecular weight of 301.74 g/mol. Its IUPAC name is 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol
PubChem CID134875771
Molecular FormulaC10H19ClOSSe
Molecular Weight301.74 g/mol
Exact Mass302.00
IUPAC Name1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol
SMILESC=C(SCCCC)[Se]CC(C)(O)CCl
InChIInChI=1S/C10H19ClOSSe/c1-4-5-6-13-9(2)14-8-10(3,12)7-11/h12H,2,4-8H2,1,3H3
InChIKeyJZHWIQGOTPHWSG-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol?
The IUPAC name of 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol (CID 134875771) is 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol is C=C(SCCCC)[Se]CC(C)(O)CCl.
What is the InChIKey of 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol?
The InChIKey is JZHWIQGOTPHWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOSSe/c1-4-5-6-13-9(2)14-8-10(3,12)7-11/h12H,2,4-8H2,1,3H3.
What are the key properties of 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol?
1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol has a molecular weight of 301.74 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfanylethenylselanyl)-3-chloro-2-methylpropan-2-ol is sourced from PubChem (CID 134875771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).