3-tert-butyl-2-ethylcyclobutan-1-ol

C10H20O — CID 81414996

IUPAC3-tert-butyl-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1C(C)(C)C
InChIInChI=1S/C10H20O/c1-5-7-8(6-9(7)11)10(2,3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCKYCIHTUGSBODT-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.44
Rot. Bonds1

About 3-tert-butyl-2-ethylcyclobutan-1-ol

3-tert-butyl-2-ethylcyclobutan-1-ol (PubChem CID 81414996) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-tert-butyl-2-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-2-ethylcyclobutan-1-ol
PubChem CID81414996
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-tert-butyl-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1C(C)(C)C
InChIInChI=1S/C10H20O/c1-5-7-8(6-9(7)11)10(2,3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCKYCIHTUGSBODT-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-ethylcyclobutan-1-ol?
The IUPAC name of 3-tert-butyl-2-ethylcyclobutan-1-ol (CID 81414996) is 3-tert-butyl-2-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-tert-butyl-2-ethylcyclobutan-1-ol?
The canonical SMILES for 3-tert-butyl-2-ethylcyclobutan-1-ol is CCC1C(O)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-ethylcyclobutan-1-ol?
The InChIKey is CKYCIHTUGSBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-8(6-9(7)11)10(2,3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-2-ethylcyclobutan-1-ol?
3-tert-butyl-2-ethylcyclobutan-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-ethylcyclobutan-1-ol is sourced from PubChem (CID 81414996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).