2-methylpropyl 2-methylpropanoate

C8H16O2 — CID 7351

IUPAC2-methylpropyl 2-methylpropanoate
SMILESCC(C)COC(=O)C(C)C
InChIInChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
InChIKeyRXGUIWHIADMCFC-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.84
Rot. Bonds3

About 2-methylpropyl 2-methylpropanoate

2-methylpropyl 2-methylpropanoate (PubChem CID 7351) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methylpropyl 2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-methylpropanoate
PubChem CID7351
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methylpropyl 2-methylpropanoate
SMILESCC(C)COC(=O)C(C)C
InChIInChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
InChIKeyRXGUIWHIADMCFC-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methylpropanoate?
The IUPAC name of 2-methylpropyl 2-methylpropanoate (CID 7351) is 2-methylpropyl 2-methylpropanoate.
What is the SMILES notation for 2-methylpropyl 2-methylpropanoate?
The canonical SMILES for 2-methylpropyl 2-methylpropanoate is CC(C)COC(=O)C(C)C.
What is the InChIKey of 2-methylpropyl 2-methylpropanoate?
The InChIKey is RXGUIWHIADMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-methylpropyl 2-methylpropanoate?
2-methylpropyl 2-methylpropanoate has a molecular weight of 144.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methylpropanoate is sourced from PubChem (CID 7351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).