5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol

C10H18O2S — CID 54480984

IUPAC5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol
SMILESCSC1=CCC(C(C)(C)O)CC1O
InChIInChI=1S/C10H18O2S/c1-10(2,12)7-4-5-9(13-3)8(11)6-7/h5,7-8,11-12H,4,6H2,1-3H3
InChIKeyTWDJRFYSVBKXOJ-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.78
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol

5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol (PubChem CID 54480984) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol
PubChem CID54480984
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol
SMILESCSC1=CCC(C(C)(C)O)CC1O
InChIInChI=1S/C10H18O2S/c1-10(2,12)7-4-5-9(13-3)8(11)6-7/h5,7-8,11-12H,4,6H2,1-3H3
InChIKeyTWDJRFYSVBKXOJ-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol (CID 54480984) is 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol is CSC1=CCC(C(C)(C)O)CC1O.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol?
The InChIKey is TWDJRFYSVBKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-10(2,12)7-4-5-9(13-3)8(11)6-7/h5,7-8,11-12H,4,6H2,1-3H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol?
5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol has a molecular weight of 202.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-methylsulfanylcyclohex-2-en-1-ol is sourced from PubChem (CID 54480984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).