methyl 2-ethyl-2,3-dimethylpentanoate

C10H20O2 — CID 23269301

IUPACmethyl 2-ethyl-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(CC)C(=O)OC
InChIInChI=1S/C10H20O2/c1-6-8(3)10(4,7-2)9(11)12-5/h8H,6-7H2,1-5H3
InChIKeyKHMDZVBOJSDBBE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-ethyl-2,3-dimethylpentanoate

methyl 2-ethyl-2,3-dimethylpentanoate (PubChem CID 23269301) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is methyl 2-ethyl-2,3-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2,3-dimethylpentanoate
PubChem CID23269301
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namemethyl 2-ethyl-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(CC)C(=O)OC
InChIInChI=1S/C10H20O2/c1-6-8(3)10(4,7-2)9(11)12-5/h8H,6-7H2,1-5H3
InChIKeyKHMDZVBOJSDBBE-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-dimethylpentanoate?
The IUPAC name of methyl 2-ethyl-2,3-dimethylpentanoate (CID 23269301) is methyl 2-ethyl-2,3-dimethylpentanoate.
What is the SMILES notation for methyl 2-ethyl-2,3-dimethylpentanoate?
The canonical SMILES for methyl 2-ethyl-2,3-dimethylpentanoate is CCC(C)C(C)(CC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2,3-dimethylpentanoate?
The InChIKey is KHMDZVBOJSDBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-8(3)10(4,7-2)9(11)12-5/h8H,6-7H2,1-5H3.
What are the key properties of methyl 2-ethyl-2,3-dimethylpentanoate?
methyl 2-ethyl-2,3-dimethylpentanoate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 4 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-dimethylpentanoate is sourced from PubChem (CID 23269301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).