cyclooctyl-(3-methylsulfonylcyclohexyl)methanol

C16H30O3S — CID 80604080

IUPACcyclooctyl-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)C2CCCCCCC2)C1
InChIInChI=1S/C16H30O3S/c1-20(18,19)15-11-7-10-14(12-15)16(17)13-8-5-3-2-4-6-9-13/h13-17H,2-12H2,1H3
InChIKeyDZHYOQGTBJABBP-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.31
Rot. Bonds3

About cyclooctyl-(3-methylsulfonylcyclohexyl)methanol

cyclooctyl-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 80604080) has the molecular formula C16H30O3S and a molecular weight of 302.48 g/mol. Its IUPAC name is cyclooctyl-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Namecyclooctyl-(3-methylsulfonylcyclohexyl)methanol
PubChem CID80604080
Molecular FormulaC16H30O3S
Molecular Weight302.48 g/mol
Exact Mass302.19
IUPAC Namecyclooctyl-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)C2CCCCCCC2)C1
InChIInChI=1S/C16H30O3S/c1-20(18,19)15-11-7-10-14(12-15)16(17)13-8-5-3-2-4-6-9-13/h13-17H,2-12H2,1H3
InChIKeyDZHYOQGTBJABBP-UHFFFAOYSA-N
XLogP3.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107192685
1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
CID 106702897
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
[2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105324224
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106830383
2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol
CID 116712704
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of cyclooctyl-(3-methylsulfonylcyclohexyl)methanol (CID 80604080) is cyclooctyl-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for cyclooctyl-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for cyclooctyl-(3-methylsulfonylcyclohexyl)methanol is CS(=O)(=O)C1CCCC(C(O)C2CCCCCCC2)C1.
What is the InChIKey of cyclooctyl-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is DZHYOQGTBJABBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3S/c1-20(18,19)15-11-7-10-14(12-15)16(17)13-8-5-3-2-4-6-9-13/h13-17H,2-12H2,1H3.
What are the key properties of cyclooctyl-(3-methylsulfonylcyclohexyl)methanol?
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 302.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 80604080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).