4-methyl-2-pentylcyclopentene-1-thiol

C11H20S — CID 88814553

IUPAC4-methyl-2-pentylcyclopentene-1-thiol
SMILESCCCCCC1=C(S)CC(C)C1
InChIInChI=1S/C11H20S/c1-3-4-5-6-10-7-9(2)8-11(10)12/h9,12H,3-8H2,1-2H3
InChIKeyJLPUQXITPRXELB-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.18
Rot. Bonds4

About 4-methyl-2-pentylcyclopentene-1-thiol

4-methyl-2-pentylcyclopentene-1-thiol (PubChem CID 88814553) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-methyl-2-pentylcyclopentene-1-thiol.

Molecular Properties

Compound Name4-methyl-2-pentylcyclopentene-1-thiol
PubChem CID88814553
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-methyl-2-pentylcyclopentene-1-thiol
SMILESCCCCCC1=C(S)CC(C)C1
InChIInChI=1S/C11H20S/c1-3-4-5-6-10-7-9(2)8-11(10)12/h9,12H,3-8H2,1-2H3
InChIKeyJLPUQXITPRXELB-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentylcyclopentene-1-thiol?
The IUPAC name of 4-methyl-2-pentylcyclopentene-1-thiol (CID 88814553) is 4-methyl-2-pentylcyclopentene-1-thiol.
What is the SMILES notation for 4-methyl-2-pentylcyclopentene-1-thiol?
The canonical SMILES for 4-methyl-2-pentylcyclopentene-1-thiol is CCCCCC1=C(S)CC(C)C1.
What is the InChIKey of 4-methyl-2-pentylcyclopentene-1-thiol?
The InChIKey is JLPUQXITPRXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-4-5-6-10-7-9(2)8-11(10)12/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-2-pentylcyclopentene-1-thiol?
4-methyl-2-pentylcyclopentene-1-thiol has a molecular weight of 184.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentylcyclopentene-1-thiol is sourced from PubChem (CID 88814553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).