(2S)-2-cyclohexyl-2-hydroxyacetic acid

C8H14O3 — CID 819912

IUPAC(2S)-2-cyclohexyl-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1
InChIKeyRRDPWAPIJGSANI-ZETCQYMHSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds2

About (2S)-2-cyclohexyl-2-hydroxyacetic acid

(2S)-2-cyclohexyl-2-hydroxyacetic acid (PubChem CID 819912) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-hydroxyacetic acid
PubChem CID819912
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S)-2-cyclohexyl-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1
InChIKeyRRDPWAPIJGSANI-ZETCQYMHSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-cyclohexyl-2-hydroxyacetic acid (CID 819912) is (2S)-2-cyclohexyl-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-cyclohexyl-2-hydroxyacetic acid is O=C(O)[C@@H](O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-hydroxyacetic acid?
The InChIKey is RRDPWAPIJGSANI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-hydroxyacetic acid?
(2S)-2-cyclohexyl-2-hydroxyacetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-hydroxyacetic acid is sourced from PubChem (CID 819912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).