2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane

C10H22O4S — CID 19985414

IUPAC2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane
SMILESCCS(=O)(=O)C(COC)(COC)C(C)C
InChIInChI=1S/C10H22O4S/c1-6-15(11,12)10(7-13-4,8-14-5)9(2)3/h9H,6-8H2,1-5H3
InChIKeyFCAZHKLWGAPKHF-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.11
Rot. Bonds7

About 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane

2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane (PubChem CID 19985414) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane.

Molecular Properties

Compound Name2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane
PubChem CID19985414
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane
SMILESCCS(=O)(=O)C(COC)(COC)C(C)C
InChIInChI=1S/C10H22O4S/c1-6-15(11,12)10(7-13-4,8-14-5)9(2)3/h9H,6-8H2,1-5H3
InChIKeyFCAZHKLWGAPKHF-UHFFFAOYSA-N
XLogP1.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane?
The IUPAC name of 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane (CID 19985414) is 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane.
What is the SMILES notation for 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane?
The canonical SMILES for 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane is CCS(=O)(=O)C(COC)(COC)C(C)C.
What is the InChIKey of 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane?
The InChIKey is FCAZHKLWGAPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-6-15(11,12)10(7-13-4,8-14-5)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane?
2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane has a molecular weight of 238.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane is sourced from PubChem (CID 19985414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).