(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate

C15H28O2 — CID 90148547

IUPAC(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1(C(C)(C)C)CCCC1
InChIInChI=1S/C15H28O2/c1-13(2,3)12(16)17-11-15(14(4,5)6)9-7-8-10-15/h7-11H2,1-6H3
InChIKeyUFVAEUMYKUKYPN-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.18
Rot. Bonds2

About (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate

(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate (PubChem CID 90148547) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate
PubChem CID90148547
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1(C(C)(C)C)CCCC1
InChIInChI=1S/C15H28O2/c1-13(2,3)12(16)17-11-15(14(4,5)6)9-7-8-10-15/h7-11H2,1-6H3
InChIKeyUFVAEUMYKUKYPN-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate (CID 90148547) is (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1(C(C)(C)C)CCCC1.
What is the InChIKey of (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate?
The InChIKey is UFVAEUMYKUKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2,3)12(16)17-11-15(14(4,5)6)9-7-8-10-15/h7-11H2,1-6H3.
What are the key properties of (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate?
(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate has a molecular weight of 240.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 90148547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).