2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane

C14H28O — CID 170050627

IUPAC2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane
SMILESCCC(C)(C)COC(C)(C)C1CCCC1
InChIInChI=1S/C14H28O/c1-6-13(2,3)11-15-14(4,5)12-9-7-8-10-12/h12H,6-11H2,1-5H3
InChIKeySTDPRXYFNLNEGJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds5

About 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane

2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane (PubChem CID 170050627) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane.

Molecular Properties

Compound Name2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane
PubChem CID170050627
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane
SMILESCCC(C)(C)COC(C)(C)C1CCCC1
InChIInChI=1S/C14H28O/c1-6-13(2,3)11-15-14(4,5)12-9-7-8-10-12/h12H,6-11H2,1-5H3
InChIKeySTDPRXYFNLNEGJ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane?
The IUPAC name of 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane (CID 170050627) is 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane.
What is the SMILES notation for 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane?
The canonical SMILES for 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane is CCC(C)(C)COC(C)(C)C1CCCC1.
What is the InChIKey of 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane?
The InChIKey is STDPRXYFNLNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-13(2,3)11-15-14(4,5)12-9-7-8-10-12/h12H,6-11H2,1-5H3.
What are the key properties of 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane?
2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane is sourced from PubChem (CID 170050627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).