methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate

C11H22O4S — CID 82927472

IUPACmethyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate
SMILESCCC(CC)CS(=O)(=O)CC(C)C(=O)OC
InChIInChI=1S/C11H22O4S/c1-5-10(6-2)8-16(13,14)7-9(3)11(12)15-4/h9-10H,5-8H2,1-4H3
InChIKeyRHPJTXRHHDPDPQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.65
Rot. Bonds7

About methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate

methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate (PubChem CID 82927472) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate
PubChem CID82927472
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Namemethyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate
SMILESCCC(CC)CS(=O)(=O)CC(C)C(=O)OC
InChIInChI=1S/C11H22O4S/c1-5-10(6-2)8-16(13,14)7-9(3)11(12)15-4/h9-10H,5-8H2,1-4H3
InChIKeyRHPJTXRHHDPDPQ-UHFFFAOYSA-N
XLogP1.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(2-methylbutylsulfonyl)propanoate
CID 66113362
methyl 3-[2-(diethylamino)ethylsulfonyl]-2-methylpropanoate
CID 66115148
methyl 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methylpropanoate
CID 43617848
methyl (2S)-3-fluorosulfonyl-2-methylpropanoate
CID 124709340
methyl 3-(3-fluoropropylsulfonyl)-2-methylpropanoate
CID 81106245
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylsulfonyl]-2-methylpropanoate
CID 66115156
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
methyl 5-(fluoromethyl)-2-methyloctanoate
CID 163222949
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-2-methylpropanoate
CID 66114468

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate (CID 82927472) is methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate is CCC(CC)CS(=O)(=O)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate?
The InChIKey is RHPJTXRHHDPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-5-10(6-2)8-16(13,14)7-9(3)11(12)15-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate?
methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate has a molecular weight of 250.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylbutylsulfonyl)-2-methylpropanoate is sourced from PubChem (CID 82927472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).