4-cyclohexylsulfanylpentanoic acid

C11H20O2S — CID 62213265

IUPAC4-cyclohexylsulfanylpentanoic acid
SMILESCC(CCC(=O)O)SC1CCCCC1
InChIInChI=1S/C11H20O2S/c1-9(7-8-11(12)13)14-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyNAHLZRGBEJXZPD-UHFFFAOYSA-N
MW216.35 g/mol
LogP3.31
Rot. Bonds5

About 4-cyclohexylsulfanylpentanoic acid

4-cyclohexylsulfanylpentanoic acid (PubChem CID 62213265) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-cyclohexylsulfanylpentanoic acid.

Molecular Properties

Compound Name4-cyclohexylsulfanylpentanoic acid
PubChem CID62213265
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-cyclohexylsulfanylpentanoic acid
SMILESCC(CCC(=O)O)SC1CCCCC1
InChIInChI=1S/C11H20O2S/c1-9(7-8-11(12)13)14-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyNAHLZRGBEJXZPD-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanylpentanoic acid?
The IUPAC name of 4-cyclohexylsulfanylpentanoic acid (CID 62213265) is 4-cyclohexylsulfanylpentanoic acid.
What is the SMILES notation for 4-cyclohexylsulfanylpentanoic acid?
The canonical SMILES for 4-cyclohexylsulfanylpentanoic acid is CC(CCC(=O)O)SC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanylpentanoic acid?
The InChIKey is NAHLZRGBEJXZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-9(7-8-11(12)13)14-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-cyclohexylsulfanylpentanoic acid?
4-cyclohexylsulfanylpentanoic acid has a molecular weight of 216.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanylpentanoic acid is sourced from PubChem (CID 62213265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).