(E)-5-cyclohexylpent-2-ene-1-thiol

C11H20S — CID 88600947

IUPAC(E)-5-cyclohexylpent-2-ene-1-thiol
SMILESSC/C=C/CCC1CCCCC1
InChIInChI=1S/C11H20S/c12-10-6-2-5-9-11-7-3-1-4-8-11/h2,6,11-12H,1,3-5,7-10H2/b6-2+
InChIKeyVJBSHNMIDFOMMG-QHHAFSJGSA-N
MW184.35 g/mol
LogP3.83
Rot. Bonds4

About (E)-5-cyclohexylpent-2-ene-1-thiol

(E)-5-cyclohexylpent-2-ene-1-thiol (PubChem CID 88600947) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (E)-5-cyclohexylpent-2-ene-1-thiol.

Molecular Properties

Compound Name(E)-5-cyclohexylpent-2-ene-1-thiol
PubChem CID88600947
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(E)-5-cyclohexylpent-2-ene-1-thiol
SMILESSC/C=C/CCC1CCCCC1
InChIInChI=1S/C11H20S/c12-10-6-2-5-9-11-7-3-1-4-8-11/h2,6,11-12H,1,3-5,7-10H2/b6-2+
InChIKeyVJBSHNMIDFOMMG-QHHAFSJGSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

but-3-enylcyclododecane
CID 54074675
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
cyclononylmethanethiol
CID 88545398
5-[(E)-4-cyclohexylbut-1-enyl]pyrrolidin-2-one
CID 142840970
but-3-enylcyclohexane;carbonic acid
CID 70349609
3-cyclobutylpropylcyclohexane
CID 54165208
[(E)-non-7-enyl]cyclohexane
CID 142802500
1,5-dicyclohexylpentan-3-ol
CID 56981010
formaldehyde;propylcyclohexane
CID 174845889
2-fluoroethylcyclodecane
CID 70177675

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexylpent-2-ene-1-thiol?
The IUPAC name of (E)-5-cyclohexylpent-2-ene-1-thiol (CID 88600947) is (E)-5-cyclohexylpent-2-ene-1-thiol.
What is the SMILES notation for (E)-5-cyclohexylpent-2-ene-1-thiol?
The canonical SMILES for (E)-5-cyclohexylpent-2-ene-1-thiol is SC/C=C/CCC1CCCCC1.
What is the InChIKey of (E)-5-cyclohexylpent-2-ene-1-thiol?
The InChIKey is VJBSHNMIDFOMMG-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H20S/c12-10-6-2-5-9-11-7-3-1-4-8-11/h2,6,11-12H,1,3-5,7-10H2/b6-2+.
What are the key properties of (E)-5-cyclohexylpent-2-ene-1-thiol?
(E)-5-cyclohexylpent-2-ene-1-thiol has a molecular weight of 184.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexylpent-2-ene-1-thiol is sourced from PubChem (CID 88600947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).