methyl 2-ethyl-2,3,3-trimethylbutanoate

C10H20O2 — CID 575740

IUPACmethyl 2-ethyl-2,3,3-trimethylbutanoate
SMILESCCC(C)(C(=O)OC)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-7-10(5,8(11)12-6)9(2,3)4/h7H2,1-6H3
InChIKeyDNFALXSHYRAXMZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds2

About methyl 2-ethyl-2,3,3-trimethylbutanoate

methyl 2-ethyl-2,3,3-trimethylbutanoate (PubChem CID 575740) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is methyl 2-ethyl-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2,3,3-trimethylbutanoate
PubChem CID575740
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namemethyl 2-ethyl-2,3,3-trimethylbutanoate
SMILESCCC(C)(C(=O)OC)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-7-10(5,8(11)12-6)9(2,3)4/h7H2,1-6H3
InChIKeyDNFALXSHYRAXMZ-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2,3,3-trimethylbutanoate?
The IUPAC name of methyl 2-ethyl-2,3,3-trimethylbutanoate (CID 575740) is methyl 2-ethyl-2,3,3-trimethylbutanoate.
What is the SMILES notation for methyl 2-ethyl-2,3,3-trimethylbutanoate?
The canonical SMILES for methyl 2-ethyl-2,3,3-trimethylbutanoate is CCC(C)(C(=O)OC)C(C)(C)C.
What is the InChIKey of methyl 2-ethyl-2,3,3-trimethylbutanoate?
The InChIKey is DNFALXSHYRAXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-10(5,8(11)12-6)9(2,3)4/h7H2,1-6H3.
What are the key properties of methyl 2-ethyl-2,3,3-trimethylbutanoate?
methyl 2-ethyl-2,3,3-trimethylbutanoate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2,3,3-trimethylbutanoate is sourced from PubChem (CID 575740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).