3-tert-butyl-1-cyclopropylcyclobutan-1-ol

C11H20O — CID 153289697

IUPAC3-tert-butyl-1-cyclopropylcyclobutan-1-ol
SMILESCC(C)(C)C1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20O/c1-10(2,3)9-6-11(12,7-9)8-4-5-8/h8-9,12H,4-7H2,1-3H3
InChIKeyQSMUGQUBUYRCSS-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds1

About 3-tert-butyl-1-cyclopropylcyclobutan-1-ol

3-tert-butyl-1-cyclopropylcyclobutan-1-ol (PubChem CID 153289697) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopropylcyclobutan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopropylcyclobutan-1-ol
PubChem CID153289697
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-tert-butyl-1-cyclopropylcyclobutan-1-ol
SMILESCC(C)(C)C1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20O/c1-10(2,3)9-6-11(12,7-9)8-4-5-8/h8-9,12H,4-7H2,1-3H3
InChIKeyQSMUGQUBUYRCSS-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopropylcyclobutan-1-ol?
The IUPAC name of 3-tert-butyl-1-cyclopropylcyclobutan-1-ol (CID 153289697) is 3-tert-butyl-1-cyclopropylcyclobutan-1-ol.
What is the SMILES notation for 3-tert-butyl-1-cyclopropylcyclobutan-1-ol?
The canonical SMILES for 3-tert-butyl-1-cyclopropylcyclobutan-1-ol is CC(C)(C)C1CC(O)(C2CC2)C1.
What is the InChIKey of 3-tert-butyl-1-cyclopropylcyclobutan-1-ol?
The InChIKey is QSMUGQUBUYRCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)9-6-11(12,7-9)8-4-5-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1-cyclopropylcyclobutan-1-ol?
3-tert-butyl-1-cyclopropylcyclobutan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopropylcyclobutan-1-ol is sourced from PubChem (CID 153289697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).