cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol

C8H16O2S — CID 11148041

IUPACcis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol
SMILESCC[S@@](=O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H16O2S/c1-2-11(10)8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8+,11+/m0/s1
InChIKeyVASKXABTNQHBRE-VAOFZXAKSA-N
MW176.28 g/mol
LogP1.06
Rot. Bonds2

About cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol

cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol (PubChem CID 11148041) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol
PubChem CID11148041
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Namecis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol
SMILESCC[S@@](=O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H16O2S/c1-2-11(10)8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8+,11+/m0/s1
InChIKeyVASKXABTNQHBRE-VAOFZXAKSA-N
XLogP1.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol (CID 11148041) is cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol is CC[S@@](=O)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol?
The InChIKey is VASKXABTNQHBRE-VAOFZXAKSA-N. The full InChI is InChI=1S/C8H16O2S/c1-2-11(10)8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8+,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol has a molecular weight of 176.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol is sourced from PubChem (CID 11148041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).