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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Related Compounds

2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane
CID 123410330
2-propoxybutan-2-ylcyclopentane
CID 158420288
3-methylpentan-3-ylcycloundecane
CID 123467319
2-cyclopentylbutan-2-amine
CID 43810238
(2-cyclohexyl-2-ethylbutoxy)silane
CID 123574003
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
2-cyclohexylbutan-2-ol
CID 14023764
2-cyclooctylbutan-2-yl acetate
CID 177097469
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122

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).