[(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane

C14H26S — CID 155118642

IUPAC[(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane
SMILESC/C=C(/CC1CCCCC1)SCC(C)C
InChIInChI=1S/C14H26S/c1-4-14(15-11-12(2)3)10-13-8-6-5-7-9-13/h4,12-13H,5-11H2,1-3H3/b14-4-
InChIKeyWLHBGWCEUIEFPG-CPSFFCFKSA-N
MW226.43 g/mol
LogP5.25
Rot. Bonds5

About [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane

[(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane (PubChem CID 155118642) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane
PubChem CID155118642
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name[(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane
SMILESC/C=C(/CC1CCCCC1)SCC(C)C
InChIInChI=1S/C14H26S/c1-4-14(15-11-12(2)3)10-13-8-6-5-7-9-13/h4,12-13H,5-11H2,1-3H3/b14-4-
InChIKeyWLHBGWCEUIEFPG-CPSFFCFKSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-3-ethylsulfanyl-4,4,4-trifluorobut-2-enyl]cyclohexane
CID 15259645
[(E)-3-ethylsulfanyl-4,4,4-trifluorobut-2-enyl]cyclohexane
CID 134996657
6-Methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
CID 15625911
2-(4-Prop-1-en-2-ylcyclohexen-1-yl)-1,3-dithiane
CID 85928606
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
1-Pentylsulfanylethenylcyclohexane
CID 58150596
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
2-Thiabicyclo[4.4.0]decene
CID 91103360
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
1-Methyl-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexene
CID 145543781
1-Ethylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
CID 163917748

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane?
The IUPAC name of [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane (CID 155118642) is [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane?
The canonical SMILES for [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane is C/C=C(/CC1CCCCC1)SCC(C)C.
What is the InChIKey of [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane?
The InChIKey is WLHBGWCEUIEFPG-CPSFFCFKSA-N. The full InChI is InChI=1S/C14H26S/c1-4-14(15-11-12(2)3)10-13-8-6-5-7-9-13/h4,12-13H,5-11H2,1-3H3/b14-4-.
What are the key properties of [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane?
[(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane has a molecular weight of 226.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(2-methylpropylsulfanyl)but-2-enyl]cyclohexane is sourced from PubChem (CID 155118642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).