4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol

C13H26O3S — CID 57081542

IUPAC4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
SMILESCC(C)S(=O)(=O)CC(O)CCC1CCCCC1
InChIInChI=1S/C13H26O3S/c1-11(2)17(15,16)10-13(14)9-8-12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3
InChIKeyDOHYEDBJDRNGOW-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.53
Rot. Bonds6

About 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol

4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol (PubChem CID 57081542) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
PubChem CID57081542
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
SMILESCC(C)S(=O)(=O)CC(O)CCC1CCCCC1
InChIInChI=1S/C13H26O3S/c1-11(2)17(15,16)10-13(14)9-8-12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3
InChIKeyDOHYEDBJDRNGOW-UHFFFAOYSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
CID 135062102
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CID 135080524
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 80060553
2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 80061029
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 80063240
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol
CID 103312584
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CID 104373677
(1R)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol?
The IUPAC name of 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol (CID 57081542) is 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol.
What is the SMILES notation for 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol?
The canonical SMILES for 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol is CC(C)S(=O)(=O)CC(O)CCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol?
The InChIKey is DOHYEDBJDRNGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-11(2)17(15,16)10-13(14)9-8-12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol?
4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol has a molecular weight of 262.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol is sourced from PubChem (CID 57081542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).