ethane;methyl (2R)-2-methylbutanoate

C8H18O2 — CID 143689114

IUPACethane;methyl (2R)-2-methylbutanoate
SMILESCC.CC[C@@H](C)C(=O)OC
InChIInChI=1S/C6H12O2.C2H6/c1-4-5(2)6(7)8-3;1-2/h5H,4H2,1-3H3;1-2H3/t5-;/m1./s1
InChIKeyWAYSWFSJHAPPKV-NUBCRITNSA-N
MW146.23 g/mol
LogP2.23
Rot. Bonds2

About ethane;methyl (2R)-2-methylbutanoate

ethane;methyl (2R)-2-methylbutanoate (PubChem CID 143689114) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;methyl (2R)-2-methylbutanoate.

Molecular Properties

Compound Nameethane;methyl (2R)-2-methylbutanoate
PubChem CID143689114
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethane;methyl (2R)-2-methylbutanoate
SMILESCC.CC[C@@H](C)C(=O)OC
InChIInChI=1S/C6H12O2.C2H6/c1-4-5(2)6(7)8-3;1-2/h5H,4H2,1-3H3;1-2H3/t5-;/m1./s1
InChIKeyWAYSWFSJHAPPKV-NUBCRITNSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
ethane;ethyl 2-methylbutanoate
CID 144747106
zinc methyl (2R)-3-bromo-2-methylpropanoate
CID 175736425
methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 2-methylbutanoate;3-oxatricyclo[3.2.1.02,4]octane
CID 90693172
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (2R)-2-methylbutanoate?
The IUPAC name of ethane;methyl (2R)-2-methylbutanoate (CID 143689114) is ethane;methyl (2R)-2-methylbutanoate.
What is the SMILES notation for ethane;methyl (2R)-2-methylbutanoate?
The canonical SMILES for ethane;methyl (2R)-2-methylbutanoate is CC.CC[C@@H](C)C(=O)OC.
What is the InChIKey of ethane;methyl (2R)-2-methylbutanoate?
The InChIKey is WAYSWFSJHAPPKV-NUBCRITNSA-N. The full InChI is InChI=1S/C6H12O2.C2H6/c1-4-5(2)6(7)8-3;1-2/h5H,4H2,1-3H3;1-2H3/t5-;/m1./s1.
What are the key properties of ethane;methyl (2R)-2-methylbutanoate?
ethane;methyl (2R)-2-methylbutanoate has a molecular weight of 146.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (2R)-2-methylbutanoate is sourced from PubChem (CID 143689114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).