3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane

C11H20 — CID 140644546

IUPAC3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
SMILESCC(C)(C)CC1CC2CC2C1
InChIInChI=1S/C11H20/c1-11(2,3)7-8-4-9-6-10(9)5-8/h8-10H,4-7H2,1-3H3
InChIKeyMXCOYSFZLKOFPD-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds1

About 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane

3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane (PubChem CID 140644546) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
PubChem CID140644546
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
SMILESCC(C)(C)CC1CC2CC2C1
InChIInChI=1S/C11H20/c1-11(2,3)7-8-4-9-6-10(9)5-8/h8-10H,4-7H2,1-3H3
InChIKeyMXCOYSFZLKOFPD-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
The IUPAC name of 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane (CID 140644546) is 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane is CC(C)(C)CC1CC2CC2C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
The InChIKey is MXCOYSFZLKOFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-11(2,3)7-8-4-9-6-10(9)5-8/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 140644546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).