1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane

C15H28 — CID 123330319

IUPAC1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane
SMILESCCC(C)CC1(C)C2CCC(C)(C)C21C
InChIInChI=1S/C15H28/c1-7-11(2)10-14(5)12-8-9-13(3,4)15(12,14)6/h11-12H,7-10H2,1-6H3
InChIKeyLZKIAQXLHJCKJS-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds3

About 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane

1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane (PubChem CID 123330319) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane
PubChem CID123330319
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane
SMILESCCC(C)CC1(C)C2CCC(C)(C)C21C
InChIInChI=1S/C15H28/c1-7-11(2)10-14(5)12-8-9-13(3,4)15(12,14)6/h11-12H,7-10H2,1-6H3
InChIKeyLZKIAQXLHJCKJS-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane?
The IUPAC name of 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane (CID 123330319) is 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane is CCC(C)CC1(C)C2CCC(C)(C)C21C.
What is the InChIKey of 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane?
The InChIKey is LZKIAQXLHJCKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-7-11(2)10-14(5)12-8-9-13(3,4)15(12,14)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane?
1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 123330319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).