2-cyclohexyl-2-propan-2-ylsulfanylacetic acid

C11H20O2S — CID 82932331

IUPAC2-cyclohexyl-2-propan-2-ylsulfanylacetic acid
SMILESCC(C)SC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H20O2S/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyOIPNDZLKKVFTOJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP3.16
Rot. Bonds4

About 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid

2-cyclohexyl-2-propan-2-ylsulfanylacetic acid (PubChem CID 82932331) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-propan-2-ylsulfanylacetic acid
PubChem CID82932331
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-cyclohexyl-2-propan-2-ylsulfanylacetic acid
SMILESCC(C)SC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H20O2S/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyOIPNDZLKKVFTOJ-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid?
The IUPAC name of 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid (CID 82932331) is 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid.
What is the SMILES notation for 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid?
The canonical SMILES for 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid is CC(C)SC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid?
The InChIKey is OIPNDZLKKVFTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid?
2-cyclohexyl-2-propan-2-ylsulfanylacetic acid has a molecular weight of 216.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-propan-2-ylsulfanylacetic acid is sourced from PubChem (CID 82932331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).