1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane

C12H24O3S — CID 58815117

IUPAC1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane
SMILESCOCC1(S(=O)(=O)CC(C)C)CCCCC1
InChIInChI=1S/C12H24O3S/c1-11(2)9-16(13,14)12(10-15-3)7-5-4-6-8-12/h11H,4-10H2,1-3H3
InChIKeyJENDHBXFGRCFIZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.41
Rot. Bonds5

About 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane

1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane (PubChem CID 58815117) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane
PubChem CID58815117
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane
SMILESCOCC1(S(=O)(=O)CC(C)C)CCCCC1
InChIInChI=1S/C12H24O3S/c1-11(2)9-16(13,14)12(10-15-3)7-5-4-6-8-12/h11H,4-10H2,1-3H3
InChIKeyJENDHBXFGRCFIZ-UHFFFAOYSA-N
XLogP2.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
The IUPAC name of 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane (CID 58815117) is 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane is COCC1(S(=O)(=O)CC(C)C)CCCCC1.
What is the InChIKey of 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
The InChIKey is JENDHBXFGRCFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-11(2)9-16(13,14)12(10-15-3)7-5-4-6-8-12/h11H,4-10H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane?
1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane has a molecular weight of 248.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane is sourced from PubChem (CID 58815117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).