1-(1-cyclobutylethoxy)ethylcyclobutane

C12H22O — CID 21252153

IUPAC1-(1-cyclobutylethoxy)ethylcyclobutane
SMILESCC(OC(C)C1CCC1)C1CCC1
InChIInChI=1S/C12H22O/c1-9(11-5-3-6-11)13-10(2)12-7-4-8-12/h9-12H,3-8H2,1-2H3
InChIKeyWPLWNEILWXRIBD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds4

About 1-(1-cyclobutylethoxy)ethylcyclobutane

1-(1-cyclobutylethoxy)ethylcyclobutane (PubChem CID 21252153) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(1-cyclobutylethoxy)ethylcyclobutane.

Molecular Properties

Compound Name1-(1-cyclobutylethoxy)ethylcyclobutane
PubChem CID21252153
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(1-cyclobutylethoxy)ethylcyclobutane
SMILESCC(OC(C)C1CCC1)C1CCC1
InChIInChI=1S/C12H22O/c1-9(11-5-3-6-11)13-10(2)12-7-4-8-12/h9-12H,3-8H2,1-2H3
InChIKeyWPLWNEILWXRIBD-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethoxy)ethylcyclobutane?
The IUPAC name of 1-(1-cyclobutylethoxy)ethylcyclobutane (CID 21252153) is 1-(1-cyclobutylethoxy)ethylcyclobutane.
What is the SMILES notation for 1-(1-cyclobutylethoxy)ethylcyclobutane?
The canonical SMILES for 1-(1-cyclobutylethoxy)ethylcyclobutane is CC(OC(C)C1CCC1)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethoxy)ethylcyclobutane?
The InChIKey is WPLWNEILWXRIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(11-5-3-6-11)13-10(2)12-7-4-8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(1-cyclobutylethoxy)ethylcyclobutane?
1-(1-cyclobutylethoxy)ethylcyclobutane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethoxy)ethylcyclobutane is sourced from PubChem (CID 21252153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).