1-(2,2-dimethylbutoxy)-1-ethylcyclopentane

C13H26O — CID 88993752

IUPAC1-(2,2-dimethylbutoxy)-1-ethylcyclopentane
SMILESCCC(C)(C)COC1(CC)CCCC1
InChIInChI=1S/C13H26O/c1-5-12(3,4)11-14-13(6-2)9-7-8-10-13/h5-11H2,1-4H3
InChIKeyBFOXWCNKPSPBSO-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane

1-(2,2-dimethylbutoxy)-1-ethylcyclopentane (PubChem CID 88993752) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane.

Molecular Properties

Compound Name1-(2,2-dimethylbutoxy)-1-ethylcyclopentane
PubChem CID88993752
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(2,2-dimethylbutoxy)-1-ethylcyclopentane
SMILESCCC(C)(C)COC1(CC)CCCC1
InChIInChI=1S/C13H26O/c1-5-12(3,4)11-14-13(6-2)9-7-8-10-13/h5-11H2,1-4H3
InChIKeyBFOXWCNKPSPBSO-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpentoxy)-1-ethylcyclopentane
CID 144690615
1-(2-tert-butyl-2,4-dimethylpentoxy)-1-ethylcyclooctane
CID 123823776
1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane
CID 66804245
2-(2,2-dimethylbutoxy)-2-ethyladamantane
CID 58195744
1-ethyl-1-methoxycyclohexane
CID 21039859
2-[(1-ethylcyclohexyl)oxymethyl]oxirane
CID 19817909
(1-ethylcyclohexyl) 3-ethyl-2,2,3-trimethylpentanoate
CID 123431668
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
2-[(1-ethylcyclobutyl)oxymethyl]oxirane
CID 175392110
1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
CID 165493036
(1-ethylcyclopentyl) methyl carbonate
CID 59539839

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane?
The IUPAC name of 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane (CID 88993752) is 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane.
What is the SMILES notation for 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane?
The canonical SMILES for 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane is CCC(C)(C)COC1(CC)CCCC1.
What is the InChIKey of 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane?
The InChIKey is BFOXWCNKPSPBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-12(3,4)11-14-13(6-2)9-7-8-10-13/h5-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane?
1-(2,2-dimethylbutoxy)-1-ethylcyclopentane has a molecular weight of 198.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutoxy)-1-ethylcyclopentane is sourced from PubChem (CID 88993752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).