2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone

C15H26SSe — CID 134923360

IUPAC2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SCC(C)C)C1CCCCC1
InChIInChI=1S/C15H26SSe/c1-4-8-14(13-9-6-5-7-10-13)15(17)16-11-12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyXUMSTFHXRKRACE-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.45
Rot. Bonds7

About 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone

2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone (PubChem CID 134923360) has the molecular formula C15H26SSe and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone
PubChem CID134923360
Molecular FormulaC15H26SSe
Molecular Weight317.40 g/mol
Exact Mass318.09
IUPAC Name2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone
SMILESC=CCC(C(=[Se])SCC(C)C)C1CCCCC1
InChIInChI=1S/C15H26SSe/c1-4-8-14(13-9-6-5-7-10-13)15(17)16-11-12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyXUMSTFHXRKRACE-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
1-Butylsulfanyl-2-cyclohexylpent-4-ene-1-selone
CID 134923359
[(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 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone?
The IUPAC name of 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone (CID 134923360) is 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone?
The canonical SMILES for 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone is C=CCC(C(=[Se])SCC(C)C)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone?
The InChIKey is XUMSTFHXRKRACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26SSe/c1-4-8-14(13-9-6-5-7-10-13)15(17)16-11-12(2)3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone?
2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone has a molecular weight of 317.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone is sourced from PubChem (CID 134923360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).