5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol

C14H28O3S — CID 65142624

IUPAC5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C14H28O3S/c1-11(2)13-7-6-12(3)10-14(13,15)8-5-9-18(4,16)17/h11-13,15H,5-10H2,1-4H3
InChIKeyAQIQKBAMZJZRCB-UHFFFAOYSA-N
MW276.44 g/mol
LogP2.63
Rot. Bonds5

About 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol

5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 65142624) has the molecular formula C14H28O3S and a molecular weight of 276.44 g/mol. Its IUPAC name is 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID65142624
Molecular FormulaC14H28O3S
Molecular Weight276.44 g/mol
Exact Mass276.18
IUPAC Name5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C14H28O3S/c1-11(2)13-7-6-12(3)10-14(13,15)8-5-9-18(4,16)17/h11-13,15H,5-10H2,1-4H3
InChIKeyAQIQKBAMZJZRCB-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol (CID 65142624) is 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(CCCS(C)(=O)=O)C1.
What is the InChIKey of 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is AQIQKBAMZJZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S/c1-11(2)13-7-6-12(3)10-14(13,15)8-5-9-18(4,16)17/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol?
5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 276.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 65142624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).