1-(2-butan-2-yloxyethyl)-2-methylcyclobutane

C11H22O — CID 123980845

IUPAC1-(2-butan-2-yloxyethyl)-2-methylcyclobutane
SMILESCCC(C)OCCC1CCC1C
InChIInChI=1S/C11H22O/c1-4-10(3)12-8-7-11-6-5-9(11)2/h9-11H,4-8H2,1-3H3
InChIKeyDQRHXISEEFBVAF-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane

1-(2-butan-2-yloxyethyl)-2-methylcyclobutane (PubChem CID 123980845) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane.

Molecular Properties

Compound Name1-(2-butan-2-yloxyethyl)-2-methylcyclobutane
PubChem CID123980845
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(2-butan-2-yloxyethyl)-2-methylcyclobutane
SMILESCCC(C)OCCC1CCC1C
InChIInChI=1S/C11H22O/c1-4-10(3)12-8-7-11-6-5-9(11)2/h9-11H,4-8H2,1-3H3
InChIKeyDQRHXISEEFBVAF-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane?
The IUPAC name of 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane (CID 123980845) is 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane.
What is the SMILES notation for 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane?
The canonical SMILES for 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane is CCC(C)OCCC1CCC1C.
What is the InChIKey of 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane?
The InChIKey is DQRHXISEEFBVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-10(3)12-8-7-11-6-5-9(11)2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane?
1-(2-butan-2-yloxyethyl)-2-methylcyclobutane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyethyl)-2-methylcyclobutane is sourced from PubChem (CID 123980845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).