3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane

C11H24O3S — CID 58814892

IUPAC3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
SMILESCCC(CC)(COC)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H24O3S/c1-6-11(7-2,9-14-5)15(12,13)8-10(3)4/h10H,6-9H2,1-5H3
InChIKeyHRHHWEZETZRBMV-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.26
Rot. Bonds7

About 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane

3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane (PubChem CID 58814892) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane.

Molecular Properties

Compound Name3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
PubChem CID58814892
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
SMILESCCC(CC)(COC)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H24O3S/c1-6-11(7-2,9-14-5)15(12,13)8-10(3)4/h10H,6-9H2,1-5H3
InChIKeyHRHHWEZETZRBMV-UHFFFAOYSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
The IUPAC name of 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane (CID 58814892) is 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane.
What is the SMILES notation for 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
The canonical SMILES for 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane is CCC(CC)(COC)S(=O)(=O)CC(C)C.
What is the InChIKey of 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
The InChIKey is HRHHWEZETZRBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-6-11(7-2,9-14-5)15(12,13)8-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane has a molecular weight of 236.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-(2-methylpropylsulfonyl)pentane is sourced from PubChem (CID 58814892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).