1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane

C14H28O — CID 168850108

IUPAC1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane
SMILESCC(C)(C)COC1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-13(2,3)10-15-12-8-7-11(9-12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyREALPVATLOLSEP-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds2

About 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane

1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane (PubChem CID 168850108) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane
PubChem CID168850108
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane
SMILESCC(C)(C)COC1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-13(2,3)10-15-12-8-7-11(9-12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyREALPVATLOLSEP-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane?
The IUPAC name of 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane (CID 168850108) is 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane.
What is the SMILES notation for 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane?
The canonical SMILES for 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane is CC(C)(C)COC1CCC(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane?
The InChIKey is REALPVATLOLSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-13(2,3)10-15-12-8-7-11(9-12)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane?
1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane is sourced from PubChem (CID 168850108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).