cyclopropyl 2,2-dimethylpropanoate

C8H14O2 — CID 23251409

IUPACcyclopropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC1
InChIInChI=1S/C8H14O2/c1-8(2,3)7(9)10-6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyJDEQVEBBDGOEDE-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds1

About cyclopropyl 2,2-dimethylpropanoate

cyclopropyl 2,2-dimethylpropanoate (PubChem CID 23251409) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cyclopropyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclopropyl 2,2-dimethylpropanoate
PubChem CID23251409
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecyclopropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC1
InChIInChI=1S/C8H14O2/c1-8(2,3)7(9)10-6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyJDEQVEBBDGOEDE-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2,2-dimethylpropanoate?
The IUPAC name of cyclopropyl 2,2-dimethylpropanoate (CID 23251409) is cyclopropyl 2,2-dimethylpropanoate.
What is the SMILES notation for cyclopropyl 2,2-dimethylpropanoate?
The canonical SMILES for cyclopropyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 2,2-dimethylpropanoate?
The InChIKey is JDEQVEBBDGOEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2,3)7(9)10-6-4-5-6/h6H,4-5H2,1-3H3.
What are the key properties of cyclopropyl 2,2-dimethylpropanoate?
cyclopropyl 2,2-dimethylpropanoate has a molecular weight of 142.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2,2-dimethylpropanoate is sourced from PubChem (CID 23251409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).