methane;methyl 2-ethyl-2,3,3-trimethylpentanoate

C14H34O2 — CID 161314197

IUPACmethane;methyl 2-ethyl-2,3,3-trimethylpentanoate
SMILESC.C.C.CCC(C)(C)C(C)(CC)C(=O)OC
InChIInChI=1S/C11H22O2.3CH4/c1-7-10(3,4)11(5,8-2)9(12)13-6;;;/h7-8H2,1-6H3;3*1H4
InChIKeyVJGYVMSNMHXIRY-UHFFFAOYSA-N
MW234.42 g/mol
LogP4.92
Rot. Bonds4

About methane;methyl 2-ethyl-2,3,3-trimethylpentanoate

methane;methyl 2-ethyl-2,3,3-trimethylpentanoate (PubChem CID 161314197) has the molecular formula C14H34O2 and a molecular weight of 234.42 g/mol. Its IUPAC name is methane;methyl 2-ethyl-2,3,3-trimethylpentanoate.

Molecular Properties

Compound Namemethane;methyl 2-ethyl-2,3,3-trimethylpentanoate
PubChem CID161314197
Molecular FormulaC14H34O2
Molecular Weight234.42 g/mol
Exact Mass234.26
IUPAC Namemethane;methyl 2-ethyl-2,3,3-trimethylpentanoate
SMILESC.C.C.CCC(C)(C)C(C)(CC)C(=O)OC
InChIInChI=1S/C11H22O2.3CH4/c1-7-10(3,4)11(5,8-2)9(12)13-6;;;/h7-8H2,1-6H3;3*1H4
InChIKeyVJGYVMSNMHXIRY-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-ethyl-2,3,3-trimethylpentanoate?
The IUPAC name of methane;methyl 2-ethyl-2,3,3-trimethylpentanoate (CID 161314197) is methane;methyl 2-ethyl-2,3,3-trimethylpentanoate.
What is the SMILES notation for methane;methyl 2-ethyl-2,3,3-trimethylpentanoate?
The canonical SMILES for methane;methyl 2-ethyl-2,3,3-trimethylpentanoate is C.C.C.CCC(C)(C)C(C)(CC)C(=O)OC.
What is the InChIKey of methane;methyl 2-ethyl-2,3,3-trimethylpentanoate?
The InChIKey is VJGYVMSNMHXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.3CH4/c1-7-10(3,4)11(5,8-2)9(12)13-6;;;/h7-8H2,1-6H3;3*1H4.
What are the key properties of methane;methyl 2-ethyl-2,3,3-trimethylpentanoate?
methane;methyl 2-ethyl-2,3,3-trimethylpentanoate has a molecular weight of 234.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-ethyl-2,3,3-trimethylpentanoate is sourced from PubChem (CID 161314197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).