1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone

C15H26SSe — CID 134923359

IUPAC1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SCCCC)C1CCCCC1
InChIInChI=1S/C15H26SSe/c1-3-5-12-16-15(17)14(9-4-2)13-10-7-6-8-11-13/h4,13-14H,2-3,5-12H2,1H3
InChIKeyZTHXCNWYBGCJNZ-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.59
Rot. Bonds8

About 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone

1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone (PubChem CID 134923359) has the molecular formula C15H26SSe and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone.

Molecular Properties

Compound Name1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone
PubChem CID134923359
Molecular FormulaC15H26SSe
Molecular Weight317.40 g/mol
Exact Mass318.09
IUPAC Name1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SCCCC)C1CCCCC1
InChIInChI=1S/C15H26SSe/c1-3-5-12-16-15(17)14(9-4-2)13-10-7-6-8-11-13/h4,13-14H,2-3,5-12H2,1H3
InChIKeyZTHXCNWYBGCJNZ-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
CID 134923117
1-Butylsulfanyl-2-cyclohexyl-4-methylpent-4-ene-1-selone
CID 134923182
2-Cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone
CID 134923360
[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
CID 134986632
2-Cyclohexyl-4-methyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone
CID 134986849
[(Z)-2-butylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134987285
[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane
CID 134987861
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
3-Ethylsulfanyl-3-methyl-6-propan-2-ylcyclohexene
CID 10559892
1,1,3-Trimethyl-2-(2-propylsulfanylethenyl)cyclohexane
CID 54193025
2-Prop-2-enyl-4-propylthiane
CID 54285710

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone?
The IUPAC name of 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone (CID 134923359) is 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone.
What is the SMILES notation for 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone?
The canonical SMILES for 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone is C=CCC(C(=[Se])SCCCC)C1CCCCC1.
What is the InChIKey of 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone?
The InChIKey is ZTHXCNWYBGCJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26SSe/c1-3-5-12-16-15(17)14(9-4-2)13-10-7-6-8-11-13/h4,13-14H,2-3,5-12H2,1H3.
What are the key properties of 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone?
1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone has a molecular weight of 317.40 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-2-cyclohexylpent-4-ene-1-selone is sourced from PubChem (CID 134923359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).