methyl 2-methyl-3-trimethylstannylbutanoate

C9H20O2Sn — CID 13445997

IUPACmethyl 2-methyl-3-trimethylstannylbutanoate
SMILESCOC(=O)C(C)C(C)[Sn](C)(C)C
InChIInChI=1S/C6H11O2.3CH3.Sn/c1-4-5(2)6(7)8-3;;;;/h4-5H,1-3H3;3*1H3;
InChIKeyBNWDERSLIBIPLA-UHFFFAOYSA-N
MW278.97 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-methyl-3-trimethylstannylbutanoate

methyl 2-methyl-3-trimethylstannylbutanoate (PubChem CID 13445997) has the molecular formula C9H20O2Sn and a molecular weight of 278.97 g/mol. Its IUPAC name is methyl 2-methyl-3-trimethylstannylbutanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-trimethylstannylbutanoate
PubChem CID13445997
Molecular FormulaC9H20O2Sn
Molecular Weight278.97 g/mol
Exact Mass280.05
IUPAC Namemethyl 2-methyl-3-trimethylstannylbutanoate
SMILESCOC(=O)C(C)C(C)[Sn](C)(C)C
InChIInChI=1S/C6H11O2.3CH3.Sn/c1-4-5(2)6(7)8-3;;;;/h4-5H,1-3H3;3*1H3;
InChIKeyBNWDERSLIBIPLA-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.97
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058
methyl (2S,3R)-4-chloro-2,3-dimethyl-4-oxobutanoate
CID 131844171
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
methyl 2-methylpropanoate;titanium
CID 174633551
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-aminopropanoate
CID 159707893
methyl (2S,3R)-2,3-dimethylpent-4-enoate
CID 13148875
methyl 2,3,4-trimethyl-5-oxopentanoate
CID 20645031
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970
methyl 2-trimethoxysilylbutanoate
CID 141147304

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-trimethylstannylbutanoate?
The IUPAC name of methyl 2-methyl-3-trimethylstannylbutanoate (CID 13445997) is methyl 2-methyl-3-trimethylstannylbutanoate.
What is the SMILES notation for methyl 2-methyl-3-trimethylstannylbutanoate?
The canonical SMILES for methyl 2-methyl-3-trimethylstannylbutanoate is COC(=O)C(C)C(C)[Sn](C)(C)C.
What is the InChIKey of methyl 2-methyl-3-trimethylstannylbutanoate?
The InChIKey is BNWDERSLIBIPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.3CH3.Sn/c1-4-5(2)6(7)8-3;;;;/h4-5H,1-3H3;3*1H3;.
What are the key properties of methyl 2-methyl-3-trimethylstannylbutanoate?
methyl 2-methyl-3-trimethylstannylbutanoate has a molecular weight of 278.97 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-trimethylstannylbutanoate is sourced from PubChem (CID 13445997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).