2-methylbutyl 2,2-dimethylpropanoate

C10H20O2 — CID 20746726

IUPAC2-methylbutyl 2,2-dimethylpropanoate
SMILESCCC(C)COC(=O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-6-8(2)7-12-9(11)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyQFCNGSICWWAQJG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds3

About 2-methylbutyl 2,2-dimethylpropanoate

2-methylbutyl 2,2-dimethylpropanoate (PubChem CID 20746726) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methylbutyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-methylbutyl 2,2-dimethylpropanoate
PubChem CID20746726
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methylbutyl 2,2-dimethylpropanoate
SMILESCCC(C)COC(=O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-6-8(2)7-12-9(11)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyQFCNGSICWWAQJG-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
5-methylheptyl 2,2-dimethylpropanoate
CID 174762068
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
2-methylbutyl 2,2,4,4-tetramethylhex-5-enoate
CID 174351541
bis(2-methylbutyl) 3,3-dimethylpentanedioate
CID 90282141
[(2S,3R,4R,5R)-3,4,5-trihydroxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
CID 162953258
2-methylbutyl acetate
CID 90958828
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
2,2-dimethylpropyl 2-methylbutyl carbonate
CID 91695775
[(2S)-2-[2-[[(2S)-1-(2,2-dimethylpropanoyloxy)butan-2-yl]amino]ethylamino]butyl] 2,2-dimethylpropanoate
CID 171348747
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082
methane;2-methylbutyl acetate
CID 160631044

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2,2-dimethylpropanoate?
The IUPAC name of 2-methylbutyl 2,2-dimethylpropanoate (CID 20746726) is 2-methylbutyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-methylbutyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-methylbutyl 2,2-dimethylpropanoate is CCC(C)COC(=O)C(C)(C)C.
What is the InChIKey of 2-methylbutyl 2,2-dimethylpropanoate?
The InChIKey is QFCNGSICWWAQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-8(2)7-12-9(11)10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2-methylbutyl 2,2-dimethylpropanoate?
2-methylbutyl 2,2-dimethylpropanoate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2,2-dimethylpropanoate is sourced from PubChem (CID 20746726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).