1-(3-methylsulfonylpropyl)cyclohexan-1-ol

C10H20O3S — CID 65142724

IUPAC1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCS(=O)(=O)CCCC1(O)CCCCC1
InChIInChI=1S/C10H20O3S/c1-14(12,13)9-5-8-10(11)6-3-2-4-7-10/h11H,2-9H2,1H3
InChIKeyFTBQUFUNGANTCV-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.51
Rot. Bonds4

About 1-(3-methylsulfonylpropyl)cyclohexan-1-ol

1-(3-methylsulfonylpropyl)cyclohexan-1-ol (PubChem CID 65142724) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)cyclohexan-1-ol
PubChem CID65142724
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCS(=O)(=O)CCCC1(O)CCCCC1
InChIInChI=1S/C10H20O3S/c1-14(12,13)9-5-8-10(11)6-3-2-4-7-10/h11H,2-9H2,1H3
InChIKeyFTBQUFUNGANTCV-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-methylsulfonylpropyl)cyclohexan-1-ol (CID 65142724) is 1-(3-methylsulfonylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-methylsulfonylpropyl)cyclohexan-1-ol is CS(=O)(=O)CCCC1(O)CCCCC1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The InChIKey is FTBQUFUNGANTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-14(12,13)9-5-8-10(11)6-3-2-4-7-10/h11H,2-9H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
1-(3-methylsulfonylpropyl)cyclohexan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 65142724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).